N,N-diethyl-4-[8-methyl-4-(3-piperidin-1-ylpropylamino)-1,6-naphthyridin-2-yl]benzamide;methyl 4-[8-bromo-4-(3-piperidin-1-ylpropylamino)-1,6-naphthyridin-2-yl]benzoate;methyl 4-[8-methyl-4-(3-piperidin-1-ylpropylamino)-1,6-naphthyridin-2-yl]benzoate;4-[8-methyl-4-(3-piperidin-1-ylpropylamino)-1,6-naphthyridin-2-yl]benzoic acid;pentane

C106H134BrN17O7 — CID 158140992

IUPACN,N-diethyl-4-[8-methyl-4-(3-piperidin-1-ylpropylamino)-1,6-naphthyridin-2-yl]benzamide;methyl 4-[8-bromo-4-(3-piperidin-1-ylpropylamino)-1,6-naphthyridin-2-yl]benzoate;methyl 4-[8-methyl-4-(3-piperidin-1-ylpropylamino)-1,6-naphthyridin-2-yl]benzoate;4-[8-methyl-4-(3-piperidin-1-ylpropylamino)-1,6-naphthyridin-2-yl]benzoic acid;pentane
SMILESCCCCC.CCN(CC)C(=O)c1ccc(-c2cc(NCCCN3CCCCC3)c3cncc(C)c3n2)cc1.COC(=O)c1ccc(-c2cc(NCCCN3CCCCC3)c3cncc(Br)c3n2)cc1.COC(=O)c1ccc(-c2cc(NCCCN3CCCCC3)c3cncc(C)c3n2)cc1.Cc1cncc2c(NCCCN3CCCCC3)cc(-c3ccc(C(=O)O)cc3)nc12
InChIInChI=1S/C28H37N5O.C25H30N4O2.C24H27BrN4O2.C24H28N4O2.C5H12/c1-4-33(5-2)28(34)23-12-10-22(11-13-23)25-18-26(24-20-29-19-21(3)27(24)31-25)30-14-9-17-32-15-7-6-8-16-32;1-18-16-26-17-21-23(27-11-6-14-29-12-4-3-5-13-29)15-22(28-24(18)21)19-7-9-20(10-8-19)25(30)31-2;1-31-24(30)18-8-6-17(7-9-18)21-14-22(19-15-26-16-20(25)23(19)28-21)27-10-5-13-29-11-3-2-4-12-29;1-17-15-25-16-20-22(26-10-5-13-28-11-3-2-4-12-28)14-21(27-23(17)20)18-6-8-19(9-7-18)24(29)30;1-3-5-4-2/h10-13,18-20H,4-9,14-17H2,1-3H3,(H,30,31);7-10,15-17H,3-6,11-14H2,1-2H3,(H,27,28);6-9,14-16H,2-5,10-13H2,1H3,(H,27,28);6-9,14-16H,2-5,10-13H2,1H3,(H,26,27)(H,29,30);3-5H2,1-2H3
InChIKeyFTXZTPNODQIXIP-UHFFFAOYSA-N
MW1838.25 g/mol
LogP21.98
Rot. Bonds32

About N,N-diethyl-4-[8-methyl-4-(3-piperidin-1-ylpropylamino)-1,6-naphthyridin-2-yl]benzamide;methyl 4-[8-bromo-4-(3-piperidin-1-ylpropylamino)-1,6-naphthyridin-2-yl]benzoate;methyl 4-[8-methyl-4-(3-piperidin-1-ylpropylamino)-1,6-naphthyridin-2-yl]benzoate;4-[8-methyl-4-(3-piperidin-1-ylpropylamino)-1,6-naphthyridin-2-yl]benzoic acid;pentane

N,N-diethyl-4-[8-methyl-4-(3-piperidin-1-ylpropylamino)-1,6-naphthyridin-2-yl]benzamide;methyl 4-[8-bromo-4-(3-piperidin-1-ylpropylamino)-1,6-naphthyridin-2-yl]benzoate;methyl 4-[8-methyl-4-(3-piperidin-1-ylpropylamino)-1,6-naphthyridin-2-yl]benzoate;4-[8-methyl-4-(3-piperidin-1-ylpropylamino)-1,6-naphthyridin-2-yl]benzoic acid;pentane (PubChem CID 158140992) has the molecular formula C106H134BrN17O7 and a molecular weight of 1838.25 g/mol. Its IUPAC name is N,N-diethyl-4-[8-methyl-4-(3-piperidin-1-ylpropylamino)-1,6-naphthyridin-2-yl]benzamide;methyl 4-[8-bromo-4-(3-piperidin-1-ylpropylamino)-1,6-naphthyridin-2-yl]benzoate;methyl 4-[8-methyl-4-(3-piperidin-1-ylpropylamino)-1,6-naphthyridin-2-yl]benzoate;4-[8-methyl-4-(3-piperidin-1-ylpropylamino)-1,6-naphthyridin-2-yl]benzoic acid;pentane.

Molecular Properties

Compound NameN,N-diethyl-4-[8-methyl-4-(3-piperidin-1-ylpropylamino)-1,6-naphthyridin-2-yl]benzamide;methyl 4-[8-bromo-4-(3-piperidin-1-ylpropylamino)-1,6-naphthyridin-2-yl]benzoate;methyl 4-[8-methyl-4-(3-piperidin-1-ylpropylamino)-1,6-naphthyridin-2-yl]benzoate;4-[8-methyl-4-(3-piperidin-1-ylpropylamino)-1,6-naphthyridin-2-yl]benzoic acid;pentane
PubChem CID158140992
Molecular FormulaC106H134BrN17O7
Molecular Weight1838.25 g/mol
Exact Mass1835.98
IUPAC NameN,N-diethyl-4-[8-methyl-4-(3-piperidin-1-ylpropylamino)-1,6-naphthyridin-2-yl]benzamide;methyl 4-[8-bromo-4-(3-piperidin-1-ylpropylamino)-1,6-naphthyridin-2-yl]benzoate;methyl 4-[8-methyl-4-(3-piperidin-1-ylpropylamino)-1,6-naphthyridin-2-yl]benzoate;4-[8-methyl-4-(3-piperidin-1-ylpropylamino)-1,6-naphthyridin-2-yl]benzoic acid;pentane
SMILESCCCCC.CCN(CC)C(=O)c1ccc(-c2cc(NCCCN3CCCCC3)c3cncc(C)c3n2)cc1.COC(=O)c1ccc(-c2cc(NCCCN3CCCCC3)c3cncc(Br)c3n2)cc1.COC(=O)c1ccc(-c2cc(NCCCN3CCCCC3)c3cncc(C)c3n2)cc1.Cc1cncc2c(NCCCN3CCCCC3)cc(-c3ccc(C(=O)O)cc3)nc12
InChIInChI=1S/C28H37N5O.C25H30N4O2.C24H27BrN4O2.C24H28N4O2.C5H12/c1-4-33(5-2)28(34)23-12-10-22(11-13-23)25-18-26(24-20-29-19-21(3)27(24)31-25)30-14-9-17-32-15-7-6-8-16-32;1-18-16-26-17-21-23(27-11-6-14-29-12-4-3-5-13-29)15-22(28-24(18)21)19-7-9-20(10-8-19)25(30)31-2;1-31-24(30)18-8-6-17(7-9-18)21-14-22(19-15-26-16-20(25)23(19)28-21)27-10-5-13-29-11-3-2-4-12-29;1-17-15-25-16-20-22(26-10-5-13-28-11-3-2-4-12-28)14-21(27-23(17)20)18-6-8-19(9-7-18)24(29)30;1-3-5-4-2/h10-13,18-20H,4-9,14-17H2,1-3H3,(H,30,31);7-10,15-17H,3-6,11-14H2,1-2H3,(H,27,28);6-9,14-16H,2-5,10-13H2,1H3,(H,27,28);6-9,14-16H,2-5,10-13H2,1H3,(H,26,27)(H,29,30);3-5H2,1-2H3
InChIKeyFTXZTPNODQIXIP-UHFFFAOYSA-N
XLogP21.98
TPSA274.41 Ų
H-Bond Donors5
H-Bond Acceptors22
Rotatable Bonds32
Heavy Atoms131
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001838.25
LogP ≤ 521.98
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1022

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N,N-diethyl-4-[8-methyl-4-(3-piperidin-1-ylpropylamino)-1,6-naphthyridin-2-yl]benzamide;methyl 4-[8-bromo-4-(3-piperidin-1-ylpropylamino)-1,6-naphthyridin-2-yl]benzoate;methyl 4-[8-methyl-4-(3-piperidin-1-ylpropylamino)-1,6-naphthyridin-2-yl]benzoate;4-[8-methyl-4-(3-piperidin-1-ylpropylamino)-1,6-naphthyridin-2-yl]benzoic acid;pentane with MolForge

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Related Compounds

(2S)-1-(2-aminoacetyl)-4,4-difluoropyrrolidine-2-carbonitrile;(2S)-4,4-difluoro-1-[4-oxo-4-[3-(quinolin-4-ylmethyl)-4-pyridinyl]butanoyl]pyrrolidine-2-carbonitrile;methyl 3-bromopyridine-4-carboxylate;quinolin-4-amine;3-(quinolin-4-ylmethyl)pyridine-4-carboxylic acid;hydrochloride
CID 159409221
Methyl 4-[8-methyl-4-(3-piperidin-1-ylpropylamino)-1,6-naphthyridin-2-yl]benzoate
CID 135371484
Methyl 4-[4-(3-piperidin-1-ylpropylamino)-1,6-naphthyridin-2-yl]benzoate
CID 135372213
Methyl 4-[8-bromo-4-(3-piperidin-1-ylpropylamino)-1,6-naphthyridin-2-yl]benzoate
CID 135372377
4-[8-Methyl-4-(3-piperidin-1-ylpropylamino)-1,6-naphthyridin-2-yl]benzoic acid
CID 135372836
Methyl 4-[8-(methylidene-lambda3-bromanyl)-4-(3-piperidin-1-ylpropylamino)-1,6-naphthyridin-2-yl]benzoate
CID 142467294
Ethane;methanamine;4-[4-(3-piperidin-1-ylpropylamino)-1,6-naphthyridin-2-yl]benzoic acid
CID 142467350
4-[8-Bromo-4-(3-piperidin-1-ylpropylamino)-1,6-naphthyridin-2-yl]benzoic acid
CID 142467354
8-bromo-1,6-naphthyridine-2-carboxylic acid;8-bromo-N-[(1R)-1-phenylethyl]-1,6-naphthyridine-2-carboxamide;methane;(1R)-1-phenylethanamine
CID 157228091
Magnesium;3-benzylquinoline-4-carbaldehyde;(3-benzylquinolin-4-yl)methanol;3-bromoquinoline;ethane;methanidylbenzene;methyl 3-benzylquinoline-4-carboxylate;methyl 3-bromoquinoline-4-carboxylate;chloride
CID 157228993
1-Methylpiperidin-4-amine;2-(1-methylpiperidin-4-yl)-1-[4-[8-methyl-4-(3-piperidin-1-ylpropylamino)-1,6-naphthyridin-2-yl]phenyl]ethanone;4-[8-methyl-4-(3-piperidin-1-ylpropylamino)-1,6-naphthyridin-2-yl]benzoic acid
CID 157324996
4-[bromo-(1-methylpiperidin-4-ylidene)methyl]benzoic acid;4-[bromo-(1-methylpiperidin-4-ylidene)methyl]-N-(2-hydroxyethyl)-N-methylbenzamide;bis(N-(2-hydroxyethyl)-N-methyl-4-[(1-methylpiperidin-4-ylidene)-quinolin-8-ylmethyl]benzamide);quinolin-8-ylboronic acid
CID 157344094

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-4-[8-methyl-4-(3-piperidin-1-ylpropylamino)-1,6-naphthyridin-2-yl]benzamide;methyl 4-[8-bromo-4-(3-piperidin-1-ylpropylamino)-1,6-naphthyridin-2-yl]benzoate;methyl 4-[8-methyl-4-(3-piperidin-1-ylpropylamino)-1,6-naphthyridin-2-yl]benzoate;4-[8-methyl-4-(3-piperidin-1-ylpropylamino)-1,6-naphthyridin-2-yl]benzoic acid;pentane?
The IUPAC name of N,N-diethyl-4-[8-methyl-4-(3-piperidin-1-ylpropylamino)-1,6-naphthyridin-2-yl]benzamide;methyl 4-[8-bromo-4-(3-piperidin-1-ylpropylamino)-1,6-naphthyridin-2-yl]benzoate;methyl 4-[8-methyl-4-(3-piperidin-1-ylpropylamino)-1,6-naphthyridin-2-yl]benzoate;4-[8-methyl-4-(3-piperidin-1-ylpropylamino)-1,6-naphthyridin-2-yl]benzoic acid;pentane (CID 158140992) is N,N-diethyl-4-[8-methyl-4-(3-piperidin-1-ylpropylamino)-1,6-naphthyridin-2-yl]benzamide;methyl 4-[8-bromo-4-(3-piperidin-1-ylpropylamino)-1,6-naphthyridin-2-yl]benzoate;methyl 4-[8-methyl-4-(3-piperidin-1-ylpropylamino)-1,6-naphthyridin-2-yl]benzoate;4-[8-methyl-4-(3-piperidin-1-ylpropylamino)-1,6-naphthyridin-2-yl]benzoic acid;pentane.
What is the SMILES notation for N,N-diethyl-4-[8-methyl-4-(3-piperidin-1-ylpropylamino)-1,6-naphthyridin-2-yl]benzamide;methyl 4-[8-bromo-4-(3-piperidin-1-ylpropylamino)-1,6-naphthyridin-2-yl]benzoate;methyl 4-[8-methyl-4-(3-piperidin-1-ylpropylamino)-1,6-naphthyridin-2-yl]benzoate;4-[8-methyl-4-(3-piperidin-1-ylpropylamino)-1,6-naphthyridin-2-yl]benzoic acid;pentane?
The canonical SMILES for N,N-diethyl-4-[8-methyl-4-(3-piperidin-1-ylpropylamino)-1,6-naphthyridin-2-yl]benzamide;methyl 4-[8-bromo-4-(3-piperidin-1-ylpropylamino)-1,6-naphthyridin-2-yl]benzoate;methyl 4-[8-methyl-4-(3-piperidin-1-ylpropylamino)-1,6-naphthyridin-2-yl]benzoate;4-[8-methyl-4-(3-piperidin-1-ylpropylamino)-1,6-naphthyridin-2-yl]benzoic acid;pentane is CCCCC.CCN(CC)C(=O)c1ccc(-c2cc(NCCCN3CCCCC3)c3cncc(C)c3n2)cc1.COC(=O)c1ccc(-c2cc(NCCCN3CCCCC3)c3cncc(Br)c3n2)cc1.COC(=O)c1ccc(-c2cc(NCCCN3CCCCC3)c3cncc(C)c3n2)cc1.Cc1cncc2c(NCCCN3CCCCC3)cc(-c3ccc(C(=O)O)cc3)nc12.
What is the InChIKey of N,N-diethyl-4-[8-methyl-4-(3-piperidin-1-ylpropylamino)-1,6-naphthyridin-2-yl]benzamide;methyl 4-[8-bromo-4-(3-piperidin-1-ylpropylamino)-1,6-naphthyridin-2-yl]benzoate;methyl 4-[8-methyl-4-(3-piperidin-1-ylpropylamino)-1,6-naphthyridin-2-yl]benzoate;4-[8-methyl-4-(3-piperidin-1-ylpropylamino)-1,6-naphthyridin-2-yl]benzoic acid;pentane?
The InChIKey is FTXZTPNODQIXIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H37N5O.C25H30N4O2.C24H27BrN4O2.C24H28N4O2.C5H12/c1-4-33(5-2)28(34)23-12-10-22(11-13-23)25-18-26(24-20-29-19-21(3)27(24)31-25)30-14-9-17-32-15-7-6-8-16-32;1-18-16-26-17-21-23(27-11-6-14-29-12-4-3-5-13-29)15-22(28-24(18)21)19-7-9-20(10-8-19)25(30)31-2;1-31-24(30)18-8-6-17(7-9-18)21-14-22(19-15-26-16-20(25)23(19)28-21)27-10-5-13-29-11-3-2-4-12-29;1-17-15-25-16-20-22(26-10-5-13-28-11-3-2-4-12-28)14-21(27-23(17)20)18-6-8-19(9-7-18)24(29)30;1-3-5-4-2/h10-13,18-20H,4-9,14-17H2,1-3H3,(H,30,31);7-10,15-17H,3-6,11-14H2,1-2H3,(H,27,28);6-9,14-16H,2-5,10-13H2,1H3,(H,27,28);6-9,14-16H,2-5,10-13H2,1H3,(H,26,27)(H,29,30);3-5H2,1-2H3.
What are the key properties of N,N-diethyl-4-[8-methyl-4-(3-piperidin-1-ylpropylamino)-1,6-naphthyridin-2-yl]benzamide;methyl 4-[8-bromo-4-(3-piperidin-1-ylpropylamino)-1,6-naphthyridin-2-yl]benzoate;methyl 4-[8-methyl-4-(3-piperidin-1-ylpropylamino)-1,6-naphthyridin-2-yl]benzoate;4-[8-methyl-4-(3-piperidin-1-ylpropylamino)-1,6-naphthyridin-2-yl]benzoic acid;pentane?
N,N-diethyl-4-[8-methyl-4-(3-piperidin-1-ylpropylamino)-1,6-naphthyridin-2-yl]benzamide;methyl 4-[8-bromo-4-(3-piperidin-1-ylpropylamino)-1,6-naphthyridin-2-yl]benzoate;methyl 4-[8-methyl-4-(3-piperidin-1-ylpropylamino)-1,6-naphthyridin-2-yl]benzoate;4-[8-methyl-4-(3-piperidin-1-ylpropylamino)-1,6-naphthyridin-2-yl]benzoic acid;pentane has a molecular weight of 1838.25 g/mol, XLogP of 21.98, 32 rotatable bonds, 5 hydrogen bond donors, and 22 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-4-[8-methyl-4-(3-piperidin-1-ylpropylamino)-1,6-naphthyridin-2-yl]benzamide;methyl 4-[8-bromo-4-(3-piperidin-1-ylpropylamino)-1,6-naphthyridin-2-yl]benzoate;methyl 4-[8-methyl-4-(3-piperidin-1-ylpropylamino)-1,6-naphthyridin-2-yl]benzoate;4-[8-methyl-4-(3-piperidin-1-ylpropylamino)-1,6-naphthyridin-2-yl]benzoic acid;pentane is sourced from PubChem (CID 158140992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).