2-chloro-N-[5-(5,11-dihydropyrido[3,2-c][1,5]benzodiazepine-6-carbonyl)-2-pyridinyl]pyridine-3-carboxamide

C24H17ClN6O2 — CID 22099633

IUPAC2-chloro-N-[5-(5,11-dihydropyrido[3,2-c][1,5]benzodiazepine-6-carbonyl)-2-pyridinyl]pyridine-3-carboxamide
SMILESO=C(Nc1ccc(C(=O)N2Cc3cccnc3Nc3ccccc32)cn1)c1cccnc1Cl
InChIInChI=1S/C24H17ClN6O2/c25-21-17(6-4-11-26-21)23(32)30-20-10-9-15(13-28-20)24(33)31-14-16-5-3-12-27-22(16)29-18-7-1-2-8-19(18)31/h1-13H,14H2,(H,27,29)(H,28,30,32)
InChIKeyYYLPQCPIWKJPLL-UHFFFAOYSA-N
MW456.89 g/mol
LogP4.68
Rot. Bonds3

About 2-chloro-N-[5-(5,11-dihydropyrido[3,2-c][1,5]benzodiazepine-6-carbonyl)-2-pyridinyl]pyridine-3-carboxamide

2-chloro-N-[5-(5,11-dihydropyrido[3,2-c][1,5]benzodiazepine-6-carbonyl)-2-pyridinyl]pyridine-3-carboxamide (PubChem CID 22099633) has the molecular formula C24H17ClN6O2 and a molecular weight of 456.89 g/mol. Its IUPAC name is 2-chloro-N-[5-(5,11-dihydropyrido[3,2-c][1,5]benzodiazepine-6-carbonyl)-2-pyridinyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name2-chloro-N-[5-(5,11-dihydropyrido[3,2-c][1,5]benzodiazepine-6-carbonyl)-2-pyridinyl]pyridine-3-carboxamide
PubChem CID22099633
Molecular FormulaC24H17ClN6O2
Molecular Weight456.89 g/mol
Exact Mass456.11
IUPAC Name2-chloro-N-[5-(5,11-dihydropyrido[3,2-c][1,5]benzodiazepine-6-carbonyl)-2-pyridinyl]pyridine-3-carboxamide
SMILESO=C(Nc1ccc(C(=O)N2Cc3cccnc3Nc3ccccc32)cn1)c1cccnc1Cl
InChIInChI=1S/C24H17ClN6O2/c25-21-17(6-4-11-26-21)23(32)30-20-10-9-15(13-28-20)24(33)31-14-16-5-3-12-27-22(16)29-18-7-1-2-8-19(18)31/h1-13H,14H2,(H,27,29)(H,28,30,32)
InChIKeyYYLPQCPIWKJPLL-UHFFFAOYSA-N
XLogP4.68
TPSA100.11 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.89
LogP ≤ 54.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-[5-(5,11-dihydropyrido[3,2-c][1,5]benzodiazepine-6-carbonyl)-2-pyridinyl]-2-methylsulfanylbenzamide
CID 22099571
N-[5-(5,11-dihydropyrido[3,2-c][1,5]benzodiazepine-6-carbonyl)-2-pyridinyl]-2-methylfuran-3-carboxamide
CID 22099746
N-[5-(6,11-dihydropyrido[2,3-b][1,4]benzodiazepine-5-carbonyl)-2-pyridinyl]-2-hydroxybenzamide
CID 149150179
N-[5-(6H-benzo[b][1,4]benzoxazepine-5-carbonyl)-2-pyridinyl]-2-chloropyridine-3-carboxamide
CID 22099721
5,11-dihydropyrido[3,2-c][1,5]benzodiazepin-6-yl-(4-fluorophenyl)methanone
CID 59957217
N-[5-(6,11-dihydrobenzo[b][1,4]benzodiazepine-5-carbonyl)-2-pyridinyl]-2-pyridin-4-ylbenzamide
CID 22099803
2-chloro-N-[4-(6,11-dihydropyrido[2,3-b][1,4]benzodiazepine-5-carbonyl)-3-methylphenyl]pyridine-3-carboxamide
CID 22100018
N-[5-(6,11-dihydropyrido[2,3-b][1,4]benzodiazepine-5-carbonyl)-2-pyridinyl]-3-methylthiophene-2-carboxamide
CID 22099762
N-[4-(6,11-dihydropyrido[2,3-b][1,4]benzodiazepine-5-carbonyl)phenyl]-2-pyridin-3-ylbenzamide
CID 22099999
N-[4-(5,11-dihydropyrido[3,2-c][1,5]benzodiazepine-6-carbonyl)-2,5-dimethylphenyl]-2-pyridin-3-ylbenzamide
CID 22099623
1-[4-(5,11-dihydropyrido[3,2-c][1,5]benzodiazepine-6-carbonyl)cyclohexa-1,2,3,5-tetraen-1-yl]ethanone
CID 121383142
5,11-dihydropyrido[3,2-c][1,5]benzodiazepin-6-yl-(1,3-dimethylcyclobutyl)methanone
CID 145094914

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[5-(5,11-dihydropyrido[3,2-c][1,5]benzodiazepine-6-carbonyl)-2-pyridinyl]pyridine-3-carboxamide?
The IUPAC name of 2-chloro-N-[5-(5,11-dihydropyrido[3,2-c][1,5]benzodiazepine-6-carbonyl)-2-pyridinyl]pyridine-3-carboxamide (CID 22099633) is 2-chloro-N-[5-(5,11-dihydropyrido[3,2-c][1,5]benzodiazepine-6-carbonyl)-2-pyridinyl]pyridine-3-carboxamide.
What is the SMILES notation for 2-chloro-N-[5-(5,11-dihydropyrido[3,2-c][1,5]benzodiazepine-6-carbonyl)-2-pyridinyl]pyridine-3-carboxamide?
The canonical SMILES for 2-chloro-N-[5-(5,11-dihydropyrido[3,2-c][1,5]benzodiazepine-6-carbonyl)-2-pyridinyl]pyridine-3-carboxamide is O=C(Nc1ccc(C(=O)N2Cc3cccnc3Nc3ccccc32)cn1)c1cccnc1Cl.
What is the InChIKey of 2-chloro-N-[5-(5,11-dihydropyrido[3,2-c][1,5]benzodiazepine-6-carbonyl)-2-pyridinyl]pyridine-3-carboxamide?
The InChIKey is YYLPQCPIWKJPLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H17ClN6O2/c25-21-17(6-4-11-26-21)23(32)30-20-10-9-15(13-28-20)24(33)31-14-16-5-3-12-27-22(16)29-18-7-1-2-8-19(18)31/h1-13H,14H2,(H,27,29)(H,28,30,32).
What are the key properties of 2-chloro-N-[5-(5,11-dihydropyrido[3,2-c][1,5]benzodiazepine-6-carbonyl)-2-pyridinyl]pyridine-3-carboxamide?
2-chloro-N-[5-(5,11-dihydropyrido[3,2-c][1,5]benzodiazepine-6-carbonyl)-2-pyridinyl]pyridine-3-carboxamide has a molecular weight of 456.89 g/mol, XLogP of 4.68, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[5-(5,11-dihydropyrido[3,2-c][1,5]benzodiazepine-6-carbonyl)-2-pyridinyl]pyridine-3-carboxamide is sourced from PubChem (CID 22099633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).