2-chloro-N-[7-chloro-1-(6-chloropyridine-3-carbonyl)-3,4-dihydro-2H-1,8-naphthyridin-4-yl]benzamide

C21H15Cl3N4O2 — CID 134278752

IUPAC2-chloro-N-[7-chloro-1-(6-chloropyridine-3-carbonyl)-3,4-dihydro-2H-1,8-naphthyridin-4-yl]benzamide
SMILESO=C(NC1CCN(C(=O)c2ccc(Cl)nc2)c2nc(Cl)ccc21)c1ccccc1Cl
InChIInChI=1S/C21H15Cl3N4O2/c22-15-4-2-1-3-13(15)20(29)26-16-9-10-28(19-14(16)6-8-18(24)27-19)21(30)12-5-7-17(23)25-11-12/h1-8,11,16H,9-10H2,(H,26,29)
InChIKeyMZMMXOLVQUBQAE-UHFFFAOYSA-N
MW461.74 g/mol
LogP4.96
Rot. Bonds3

About 2-chloro-N-[7-chloro-1-(6-chloropyridine-3-carbonyl)-3,4-dihydro-2H-1,8-naphthyridin-4-yl]benzamide

2-chloro-N-[7-chloro-1-(6-chloropyridine-3-carbonyl)-3,4-dihydro-2H-1,8-naphthyridin-4-yl]benzamide (PubChem CID 134278752) has the molecular formula C21H15Cl3N4O2 and a molecular weight of 461.74 g/mol. Its IUPAC name is 2-chloro-N-[7-chloro-1-(6-chloropyridine-3-carbonyl)-3,4-dihydro-2H-1,8-naphthyridin-4-yl]benzamide.

Molecular Properties

Compound Name2-chloro-N-[7-chloro-1-(6-chloropyridine-3-carbonyl)-3,4-dihydro-2H-1,8-naphthyridin-4-yl]benzamide
PubChem CID134278752
Molecular FormulaC21H15Cl3N4O2
Molecular Weight461.74 g/mol
Exact Mass460.03
IUPAC Name2-chloro-N-[7-chloro-1-(6-chloropyridine-3-carbonyl)-3,4-dihydro-2H-1,8-naphthyridin-4-yl]benzamide
SMILESO=C(NC1CCN(C(=O)c2ccc(Cl)nc2)c2nc(Cl)ccc21)c1ccccc1Cl
InChIInChI=1S/C21H15Cl3N4O2/c22-15-4-2-1-3-13(15)20(29)26-16-9-10-28(19-14(16)6-8-18(24)27-19)21(30)12-5-7-17(23)25-11-12/h1-8,11,16H,9-10H2,(H,26,29)
InChIKeyMZMMXOLVQUBQAE-UHFFFAOYSA-N
XLogP4.96
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.74
LogP ≤ 54.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

2-chloro-N-[1-methyl-4-[6-(trifluoromethyl)pyridine-3-carbonyl]-6,7-dihydro-5H-pyrazolo[4,5-b]pyridin-7-yl]benzamide
CID 134278902
2-chloro-N-[7-chloro-1-(4-methoxybenzoyl)-3,4-dihydro-2H-quinolin-4-yl]benzamide
CID 134278889
2-chloro-N-[4-(3,4-dimethoxybenzoyl)-1,5,6,7-tetrahydropyrazolo[4,5-b]pyridin-7-yl]benzamide
CID 134278359
2-chloro-N-[1-methyl-4-(3,4,5-trifluorobenzoyl)-6,7-dihydro-5H-pyrazolo[4,5-b]pyridin-7-yl]benzamide
CID 134278405
2-chloro-N-[1-methyl-4-(3-methylsulfonylbenzoyl)-6,7-dihydro-5H-pyrazolo[4,5-b]pyridin-7-yl]benzamide
CID 134278941
2-chloro-N-[4-(2-methoxypyridine-4-carbonyl)-1-methyl-6,7-dihydro-5H-pyrazolo[4,5-b]pyridin-7-yl]benzamide
CID 134278343
2-chloro-N-[4-(3-chloro-4-methoxybenzoyl)-1-cyclopentyl-6,7-dihydro-5H-pyrazolo[4,5-b]pyridin-7-yl]benzamide
CID 134278958
2-chloro-N-[7-chloro-1-(furan-2-carbonyl)-3,4-dihydro-2H-quinolin-4-yl]benzamide
CID 134278832
2-chloro-N-[(1S)-2,3-dihydro-1H-inden-1-yl]benzamide
CID 26288569
2-chloro-N-[(1R)-2,3-dihydro-1H-inden-1-yl]benzamide
CID 26288568
2-chloro-N-[4-(2,5-dimethylpyrazole-3-carbonyl)-1-methyl-6,7-dihydro-5H-pyrazolo[4,5-b]pyridin-7-yl]benzamide
CID 134278554
(6-chloro-3-pyridinyl)-cyclopropylmethanone
CID 11550101

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[7-chloro-1-(6-chloropyridine-3-carbonyl)-3,4-dihydro-2H-1,8-naphthyridin-4-yl]benzamide?
The IUPAC name of 2-chloro-N-[7-chloro-1-(6-chloropyridine-3-carbonyl)-3,4-dihydro-2H-1,8-naphthyridin-4-yl]benzamide (CID 134278752) is 2-chloro-N-[7-chloro-1-(6-chloropyridine-3-carbonyl)-3,4-dihydro-2H-1,8-naphthyridin-4-yl]benzamide.
What is the SMILES notation for 2-chloro-N-[7-chloro-1-(6-chloropyridine-3-carbonyl)-3,4-dihydro-2H-1,8-naphthyridin-4-yl]benzamide?
The canonical SMILES for 2-chloro-N-[7-chloro-1-(6-chloropyridine-3-carbonyl)-3,4-dihydro-2H-1,8-naphthyridin-4-yl]benzamide is O=C(NC1CCN(C(=O)c2ccc(Cl)nc2)c2nc(Cl)ccc21)c1ccccc1Cl.
What is the InChIKey of 2-chloro-N-[7-chloro-1-(6-chloropyridine-3-carbonyl)-3,4-dihydro-2H-1,8-naphthyridin-4-yl]benzamide?
The InChIKey is MZMMXOLVQUBQAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15Cl3N4O2/c22-15-4-2-1-3-13(15)20(29)26-16-9-10-28(19-14(16)6-8-18(24)27-19)21(30)12-5-7-17(23)25-11-12/h1-8,11,16H,9-10H2,(H,26,29).
What are the key properties of 2-chloro-N-[7-chloro-1-(6-chloropyridine-3-carbonyl)-3,4-dihydro-2H-1,8-naphthyridin-4-yl]benzamide?
2-chloro-N-[7-chloro-1-(6-chloropyridine-3-carbonyl)-3,4-dihydro-2H-1,8-naphthyridin-4-yl]benzamide has a molecular weight of 461.74 g/mol, XLogP of 4.96, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[7-chloro-1-(6-chloropyridine-3-carbonyl)-3,4-dihydro-2H-1,8-naphthyridin-4-yl]benzamide is sourced from PubChem (CID 134278752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).