4-(4-chloro-1,6-naphthyridin-2-yl)-N,N-diethylbenzamide;N,N-diethyl-4-[4-(oxan-4-ylamino)-1,6-naphthyridin-2-yl]benzamide;oxan-4-amine

C48H57ClN8O4 — CID 158415846

IUPAC4-(4-chloro-1,6-naphthyridin-2-yl)-N,N-diethylbenzamide;N,N-diethyl-4-[4-(oxan-4-ylamino)-1,6-naphthyridin-2-yl]benzamide;oxan-4-amine
SMILESCCN(CC)C(=O)c1ccc(-c2cc(Cl)c3cnccc3n2)cc1.CCN(CC)C(=O)c1ccc(-c2cc(NC3CCOCC3)c3cnccc3n2)cc1.NC1CCOCC1
InChIInChI=1S/C24H28N4O2.C19H18ClN3O.C5H11NO/c1-3-28(4-2)24(29)18-7-5-17(6-8-18)22-15-23(26-19-10-13-30-14-11-19)20-16-25-12-9-21(20)27-22;1-3-23(4-2)19(24)14-7-5-13(6-8-14)18-11-16(20)15-12-21-10-9-17(15)22-18;6-5-1-3-7-4-2-5/h5-9,12,15-16,19H,3-4,10-11,13-14H2,1-2H3,(H,26,27);5-12H,3-4H2,1-2H3;5H,1-4,6H2
InChIKeyGZWPFEXYGASKDV-UHFFFAOYSA-N
MW845.49 g/mol
LogP8.93
Rot. Bonds10

About 4-(4-chloro-1,6-naphthyridin-2-yl)-N,N-diethylbenzamide;N,N-diethyl-4-[4-(oxan-4-ylamino)-1,6-naphthyridin-2-yl]benzamide;oxan-4-amine

4-(4-chloro-1,6-naphthyridin-2-yl)-N,N-diethylbenzamide;N,N-diethyl-4-[4-(oxan-4-ylamino)-1,6-naphthyridin-2-yl]benzamide;oxan-4-amine (PubChem CID 158415846) has the molecular formula C48H57ClN8O4 and a molecular weight of 845.49 g/mol. Its IUPAC name is 4-(4-chloro-1,6-naphthyridin-2-yl)-N,N-diethylbenzamide;N,N-diethyl-4-[4-(oxan-4-ylamino)-1,6-naphthyridin-2-yl]benzamide;oxan-4-amine.

Molecular Properties

Compound Name4-(4-chloro-1,6-naphthyridin-2-yl)-N,N-diethylbenzamide;N,N-diethyl-4-[4-(oxan-4-ylamino)-1,6-naphthyridin-2-yl]benzamide;oxan-4-amine
PubChem CID158415846
Molecular FormulaC48H57ClN8O4
Molecular Weight845.49 g/mol
Exact Mass844.42
IUPAC Name4-(4-chloro-1,6-naphthyridin-2-yl)-N,N-diethylbenzamide;N,N-diethyl-4-[4-(oxan-4-ylamino)-1,6-naphthyridin-2-yl]benzamide;oxan-4-amine
SMILESCCN(CC)C(=O)c1ccc(-c2cc(Cl)c3cnccc3n2)cc1.CCN(CC)C(=O)c1ccc(-c2cc(NC3CCOCC3)c3cnccc3n2)cc1.NC1CCOCC1
InChIInChI=1S/C24H28N4O2.C19H18ClN3O.C5H11NO/c1-3-28(4-2)24(29)18-7-5-17(6-8-18)22-15-23(26-19-10-13-30-14-11-19)20-16-25-12-9-21(20)27-22;1-3-23(4-2)19(24)14-7-5-13(6-8-14)18-11-16(20)15-12-21-10-9-17(15)22-18;6-5-1-3-7-4-2-5/h5-9,12,15-16,19H,3-4,10-11,13-14H2,1-2H3,(H,26,27);5-12H,3-4H2,1-2H3;5H,1-4,6H2
InChIKeyGZWPFEXYGASKDV-UHFFFAOYSA-N
XLogP8.93
TPSA148.69 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds10
Heavy Atoms61
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500845.49
LogP ≤ 58.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Analyze 4-(4-chloro-1,6-naphthyridin-2-yl)-N,N-diethylbenzamide;N,N-diethyl-4-[4-(oxan-4-ylamino)-1,6-naphthyridin-2-yl]benzamide;oxan-4-amine with MolForge

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Related Compounds

N-(1-benzylpiperidin-4-yl)-6-chloro-2-(pyridin-3-yl)quinoline-4-carboxamide
CID 17373844
N-(1-benzylpiperidin-4-yl)-6-chloro-2-(pyridin-4-yl)quinoline-4-carboxamide
CID 17375211
N-(3-(4-(3-(7-chloroquinolin-4-ylamino)propyl)piperazin-1-yl)propyl)quinoline-4-carboxamide
CID 10951400
4-N-[3-[4-[3-[(7-chloroquinolin-4-yl)amino]propyl]piperazin-1-yl]propyl]benzene-1,4-dicarboxamide
CID 44428927
N-[3-[4-[3-[(7-chloroquinolin-4-yl)amino]propyl]piperazin-1-yl]propyl]-4-ethylbenzamide
CID 44428954
4-benzoyl-N-[3-[4-[3-[(7-chloroquinolin-4-yl)amino]propyl]piperazin-1-yl]propyl]benzamide
CID 44428950
4-[[4-[[4-[(7-chloroquinolin-4-yl)amino]phenyl]methylamino]piperidin-1-yl]methyl]-N,N-diethylbenzamide
CID 19760346
4-[[4-[butanoyl-[[4-[(7-chloroquinolin-4-yl)amino]phenyl]methyl]amino]piperidin-1-yl]methyl]-N,N-diethylbenzamide
CID 19760351
[5-[3-[(1R)-1-[(3-chloroquinolin-4-yl)amino]ethyl]-4-fluorophenyl]-3-pyridinyl]-morpholin-4-ylmethanone
CID 126531265
[5-[3-[1-[(3-Chloroquinolin-4-yl)amino]ethyl]-4-fluorophenyl]-3-pyridinyl]-morpholin-4-ylmethanone
CID 126531267
8-(4-chlorophenyl)-N-(2,2,2-trifluoroethyl)-1,6-naphthyridine-2-carboxamide;8-(4-chlorophenyl)-N-(3,3,3-trifluoropropyl)-1,6-naphthyridine-2-carboxamide
CID 158456486
tert-butyl 4-[2-oxo-2-[4-[4-(3-piperidin-1-ylpropylamino)-1,6-naphthyridin-2-yl]-3-(trifluoromethyl)phenyl]ethyl]piperidine-1-carboxylate;tert-butyl 4-[[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-(trifluoromethyl)benzoyl]amino]piperidine-1-carboxylate;2-chloro-N-(3-piperidin-1-ylpropyl)-1,6-naphthyridin-4-amine;2-piperidin-4-yl-1-[4-[4-(3-piperidin-1-ylpropylamino)-1,6-naphthyridin-2-yl]-3-(trifluoromethyl)phenyl]ethanone
CID 158693630

Frequently Asked Questions

What is the IUPAC name of 4-(4-chloro-1,6-naphthyridin-2-yl)-N,N-diethylbenzamide;N,N-diethyl-4-[4-(oxan-4-ylamino)-1,6-naphthyridin-2-yl]benzamide;oxan-4-amine?
The IUPAC name of 4-(4-chloro-1,6-naphthyridin-2-yl)-N,N-diethylbenzamide;N,N-diethyl-4-[4-(oxan-4-ylamino)-1,6-naphthyridin-2-yl]benzamide;oxan-4-amine (CID 158415846) is 4-(4-chloro-1,6-naphthyridin-2-yl)-N,N-diethylbenzamide;N,N-diethyl-4-[4-(oxan-4-ylamino)-1,6-naphthyridin-2-yl]benzamide;oxan-4-amine.
What is the SMILES notation for 4-(4-chloro-1,6-naphthyridin-2-yl)-N,N-diethylbenzamide;N,N-diethyl-4-[4-(oxan-4-ylamino)-1,6-naphthyridin-2-yl]benzamide;oxan-4-amine?
The canonical SMILES for 4-(4-chloro-1,6-naphthyridin-2-yl)-N,N-diethylbenzamide;N,N-diethyl-4-[4-(oxan-4-ylamino)-1,6-naphthyridin-2-yl]benzamide;oxan-4-amine is CCN(CC)C(=O)c1ccc(-c2cc(Cl)c3cnccc3n2)cc1.CCN(CC)C(=O)c1ccc(-c2cc(NC3CCOCC3)c3cnccc3n2)cc1.NC1CCOCC1.
What is the InChIKey of 4-(4-chloro-1,6-naphthyridin-2-yl)-N,N-diethylbenzamide;N,N-diethyl-4-[4-(oxan-4-ylamino)-1,6-naphthyridin-2-yl]benzamide;oxan-4-amine?
The InChIKey is GZWPFEXYGASKDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N4O2.C19H18ClN3O.C5H11NO/c1-3-28(4-2)24(29)18-7-5-17(6-8-18)22-15-23(26-19-10-13-30-14-11-19)20-16-25-12-9-21(20)27-22;1-3-23(4-2)19(24)14-7-5-13(6-8-14)18-11-16(20)15-12-21-10-9-17(15)22-18;6-5-1-3-7-4-2-5/h5-9,12,15-16,19H,3-4,10-11,13-14H2,1-2H3,(H,26,27);5-12H,3-4H2,1-2H3;5H,1-4,6H2.
What are the key properties of 4-(4-chloro-1,6-naphthyridin-2-yl)-N,N-diethylbenzamide;N,N-diethyl-4-[4-(oxan-4-ylamino)-1,6-naphthyridin-2-yl]benzamide;oxan-4-amine?
4-(4-chloro-1,6-naphthyridin-2-yl)-N,N-diethylbenzamide;N,N-diethyl-4-[4-(oxan-4-ylamino)-1,6-naphthyridin-2-yl]benzamide;oxan-4-amine has a molecular weight of 845.49 g/mol, XLogP of 8.93, 10 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chloro-1,6-naphthyridin-2-yl)-N,N-diethylbenzamide;N,N-diethyl-4-[4-(oxan-4-ylamino)-1,6-naphthyridin-2-yl]benzamide;oxan-4-amine is sourced from PubChem (CID 158415846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).