N,N-diethyl-4-[4-[3-(4-methylpiperazin-1-yl)propylamino]-1,6-naphthyridin-2-yl]benzamide

C27H36N6O — CID 135372997

IUPACN,N-diethyl-4-[4-[3-(4-methylpiperazin-1-yl)propylamino]-1,6-naphthyridin-2-yl]benzamide
SMILESCCN(CC)C(=O)c1ccc(-c2cc(NCCCN3CCN(C)CC3)c3cnccc3n2)cc1
InChIInChI=1S/C27H36N6O/c1-4-33(5-2)27(34)22-9-7-21(8-10-22)25-19-26(23-20-28-13-11-24(23)30-25)29-12-6-14-32-17-15-31(3)16-18-32/h7-11,13,19-20H,4-6,12,14-18H2,1-3H3,(H,29,30)
InChIKeyCUCMIHUPENDULQ-UHFFFAOYSA-N
MW460.63 g/mol
LogP3.83
Rot. Bonds9

About N,N-diethyl-4-[4-[3-(4-methylpiperazin-1-yl)propylamino]-1,6-naphthyridin-2-yl]benzamide

N,N-diethyl-4-[4-[3-(4-methylpiperazin-1-yl)propylamino]-1,6-naphthyridin-2-yl]benzamide (PubChem CID 135372997) has the molecular formula C27H36N6O and a molecular weight of 460.63 g/mol. Its IUPAC name is N,N-diethyl-4-[4-[3-(4-methylpiperazin-1-yl)propylamino]-1,6-naphthyridin-2-yl]benzamide.

Molecular Properties

Compound NameN,N-diethyl-4-[4-[3-(4-methylpiperazin-1-yl)propylamino]-1,6-naphthyridin-2-yl]benzamide
PubChem CID135372997
Molecular FormulaC27H36N6O
Molecular Weight460.63 g/mol
Exact Mass460.30
IUPAC NameN,N-diethyl-4-[4-[3-(4-methylpiperazin-1-yl)propylamino]-1,6-naphthyridin-2-yl]benzamide
SMILESCCN(CC)C(=O)c1ccc(-c2cc(NCCCN3CCN(C)CC3)c3cnccc3n2)cc1
InChIInChI=1S/C27H36N6O/c1-4-33(5-2)27(34)22-9-7-21(8-10-22)25-19-26(23-20-28-13-11-24(23)30-25)29-12-6-14-32-17-15-31(3)16-18-32/h7-11,13,19-20H,4-6,12,14-18H2,1-3H3,(H,29,30)
InChIKeyCUCMIHUPENDULQ-UHFFFAOYSA-N
XLogP3.83
TPSA64.60 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.63
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

4-[4-(3-piperidin-1-ylpropylamino)-1,6-naphthyridin-2-yl]-N-(2-pyridin-4-ylethyl)benzamide
CID 135372873
(E)-N-[2-(diethylamino)-2-oxoethyl]-3-[4-[4-(3-piperidin-1-ylpropylamino)-1,6-naphthyridin-2-yl]phenyl]prop-2-enamide
CID 135372300
N-methoxy-4-[4-(3-piperidin-1-ylpropylamino)-1,6-naphthyridin-2-yl]benzamide
CID 135373155
N,N-diethyl-6-[4-(3-piperidin-1-ylpropylamino)-1,6-naphthyridin-2-yl]-1-benzothiophene-2-carboxamide;N-ethylethanamine;6-[4-(3-piperidin-1-ylpropylamino)-1,6-naphthyridin-2-yl]-1-benzothiophene-2-carboxylic acid
CID 159815289
N,N-diethyl-4-[4-[4-(2-methoxyethylamino)anilino]-1,6-naphthyridin-2-yl]benzamide
CID 135372770
2-[3-[4-[4-(3-piperidin-1-ylpropylamino)-1,6-naphthyridin-2-yl]phenyl]propanoylamino]acetic acid
CID 142467394
(E)-N-(1-methylpiperidin-4-yl)-3-[4-[4-(3-piperidin-1-ylpropylamino)-1,6-naphthyridin-2-yl]phenyl]prop-2-enamide
CID 135373118
4-[4-[4-[(dimethylamino)methyl]anilino]-1,6-naphthyridin-2-yl]-N,N-diethylbenzamide
CID 135372105
ethane;formic acid;N-(3-piperidin-1-ylpropyl)-2-(4-propylphenyl)-1,6-naphthyridin-4-amine;propan-2-amine
CID 142467357
1-methylpiperidin-4-amine;N-(1-methylpiperidin-4-yl)-2-[[4-[4-(3-piperidin-1-ylpropylamino)-1,6-naphthyridin-2-yl]phenyl]methoxy]acetamide;2-[[4-[4-(3-piperidin-1-ylpropylamino)-1,6-naphthyridin-2-yl]phenyl]methoxy]acetic acid
CID 158355806
5-[4-(3-piperidin-1-ylpropylamino)-1,6-naphthyridin-2-yl]-N-(2-pyridin-4-ylethyl)-1-(2-trimethylsilylethoxymethyl)benzimidazole-2-carboxamide
CID 153453981
4-[8-methyl-4-(3-piperidin-1-ylpropylamino)-1,6-naphthyridin-2-yl]-N-(3-piperidin-1-ylpropyl)benzamide
CID 135371489

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-4-[4-[3-(4-methylpiperazin-1-yl)propylamino]-1,6-naphthyridin-2-yl]benzamide?
The IUPAC name of N,N-diethyl-4-[4-[3-(4-methylpiperazin-1-yl)propylamino]-1,6-naphthyridin-2-yl]benzamide (CID 135372997) is N,N-diethyl-4-[4-[3-(4-methylpiperazin-1-yl)propylamino]-1,6-naphthyridin-2-yl]benzamide.
What is the SMILES notation for N,N-diethyl-4-[4-[3-(4-methylpiperazin-1-yl)propylamino]-1,6-naphthyridin-2-yl]benzamide?
The canonical SMILES for N,N-diethyl-4-[4-[3-(4-methylpiperazin-1-yl)propylamino]-1,6-naphthyridin-2-yl]benzamide is CCN(CC)C(=O)c1ccc(-c2cc(NCCCN3CCN(C)CC3)c3cnccc3n2)cc1.
What is the InChIKey of N,N-diethyl-4-[4-[3-(4-methylpiperazin-1-yl)propylamino]-1,6-naphthyridin-2-yl]benzamide?
The InChIKey is CUCMIHUPENDULQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H36N6O/c1-4-33(5-2)27(34)22-9-7-21(8-10-22)25-19-26(23-20-28-13-11-24(23)30-25)29-12-6-14-32-17-15-31(3)16-18-32/h7-11,13,19-20H,4-6,12,14-18H2,1-3H3,(H,29,30).
What are the key properties of N,N-diethyl-4-[4-[3-(4-methylpiperazin-1-yl)propylamino]-1,6-naphthyridin-2-yl]benzamide?
N,N-diethyl-4-[4-[3-(4-methylpiperazin-1-yl)propylamino]-1,6-naphthyridin-2-yl]benzamide has a molecular weight of 460.63 g/mol, XLogP of 3.83, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-4-[4-[3-(4-methylpiperazin-1-yl)propylamino]-1,6-naphthyridin-2-yl]benzamide is sourced from PubChem (CID 135372997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).