N-[5-(6,11-dihydropyrido[2,3-b][1,4]benzodiazepine-5-carbonyl)-2-pyridinyl]-2-hydroxybenzamide

C25H19N5O3 — CID 149150179

IUPACN-[5-(6,11-dihydropyrido[2,3-b][1,4]benzodiazepine-5-carbonyl)-2-pyridinyl]-2-hydroxybenzamide
SMILESO=C(Nc1ccc(C(=O)N2Cc3ccccc3Nc3ncccc32)cn1)c1ccccc1O
InChIInChI=1S/C25H19N5O3/c31-21-10-4-2-7-18(21)24(32)29-22-12-11-16(14-27-22)25(33)30-15-17-6-1-3-8-19(17)28-23-20(30)9-5-13-26-23/h1-14,31H,15H2,(H,26,28)(H,27,29,32)
InChIKeyIQODVVFIUWINMV-UHFFFAOYSA-N
MW437.46 g/mol
LogP4.34
Rot. Bonds3

About N-[5-(6,11-dihydropyrido[2,3-b][1,4]benzodiazepine-5-carbonyl)-2-pyridinyl]-2-hydroxybenzamide

N-[5-(6,11-dihydropyrido[2,3-b][1,4]benzodiazepine-5-carbonyl)-2-pyridinyl]-2-hydroxybenzamide (PubChem CID 149150179) has the molecular formula C25H19N5O3 and a molecular weight of 437.46 g/mol. Its IUPAC name is N-[5-(6,11-dihydropyrido[2,3-b][1,4]benzodiazepine-5-carbonyl)-2-pyridinyl]-2-hydroxybenzamide.

Molecular Properties

Compound NameN-[5-(6,11-dihydropyrido[2,3-b][1,4]benzodiazepine-5-carbonyl)-2-pyridinyl]-2-hydroxybenzamide
PubChem CID149150179
Molecular FormulaC25H19N5O3
Molecular Weight437.46 g/mol
Exact Mass437.15
IUPAC NameN-[5-(6,11-dihydropyrido[2,3-b][1,4]benzodiazepine-5-carbonyl)-2-pyridinyl]-2-hydroxybenzamide
SMILESO=C(Nc1ccc(C(=O)N2Cc3ccccc3Nc3ncccc32)cn1)c1ccccc1O
InChIInChI=1S/C25H19N5O3/c31-21-10-4-2-7-18(21)24(32)29-22-12-11-16(14-27-22)25(33)30-15-17-6-1-3-8-19(17)28-23-20(30)9-5-13-26-23/h1-14,31H,15H2,(H,26,28)(H,27,29,32)
InChIKeyIQODVVFIUWINMV-UHFFFAOYSA-N
XLogP4.34
TPSA107.45 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.46
LogP ≤ 54.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

2-chloro-N-[5-(5,11-dihydropyrido[3,2-c][1,5]benzodiazepine-6-carbonyl)-2-pyridinyl]pyridine-3-carboxamide
CID 22099633
N-[5-(6,11-dihydropyrido[2,3-b][1,4]benzodiazepine-5-carbonyl)-2-pyridinyl]-3-methylthiophene-2-carboxamide
CID 22099762
N-[5-(5,11-dihydropyrido[3,2-c][1,5]benzodiazepine-6-carbonyl)-2-pyridinyl]-2-methylsulfanylbenzamide
CID 22099571
N-[5-(6,11-dihydrobenzo[b][1,4]benzodiazepine-5-carbonyl)-2-pyridinyl]-2-pyridin-4-ylbenzamide
CID 22099803
N-[4-(6,11-dihydropyrido[2,3-b][1,4]benzodiazepine-5-carbonyl)phenyl]-2-pyridin-3-ylbenzamide
CID 22099999
N-[5-(5,11-dihydropyrido[3,2-c][1,5]benzodiazepine-6-carbonyl)-2-pyridinyl]-2-methylfuran-3-carboxamide
CID 22099746
2-chloro-N-[4-(6,11-dihydropyrido[2,3-b][1,4]benzodiazepine-5-carbonyl)-3-methylphenyl]pyridine-3-carboxamide
CID 22100018
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-(4,10-dihydropyrazolo[5,1-c][1,4]benzodiazepine-5-carbonyl)-2-pyridinyl]-2-phenylbenzamide
CID 21462557
N-[4-(5,11-dihydropyrido[3,2-c][1,5]benzodiazepine-6-carbonyl)-2,5-dimethylphenyl]-2-pyridin-3-ylbenzamide
CID 22099623
6-[(2-hydroxybenzoyl)amino]pyridine-3-carboxylic acid
CID 61317349

Frequently Asked Questions

What is the IUPAC name of N-[5-(6,11-dihydropyrido[2,3-b][1,4]benzodiazepine-5-carbonyl)-2-pyridinyl]-2-hydroxybenzamide?
The IUPAC name of N-[5-(6,11-dihydropyrido[2,3-b][1,4]benzodiazepine-5-carbonyl)-2-pyridinyl]-2-hydroxybenzamide (CID 149150179) is N-[5-(6,11-dihydropyrido[2,3-b][1,4]benzodiazepine-5-carbonyl)-2-pyridinyl]-2-hydroxybenzamide.
What is the SMILES notation for N-[5-(6,11-dihydropyrido[2,3-b][1,4]benzodiazepine-5-carbonyl)-2-pyridinyl]-2-hydroxybenzamide?
The canonical SMILES for N-[5-(6,11-dihydropyrido[2,3-b][1,4]benzodiazepine-5-carbonyl)-2-pyridinyl]-2-hydroxybenzamide is O=C(Nc1ccc(C(=O)N2Cc3ccccc3Nc3ncccc32)cn1)c1ccccc1O.
What is the InChIKey of N-[5-(6,11-dihydropyrido[2,3-b][1,4]benzodiazepine-5-carbonyl)-2-pyridinyl]-2-hydroxybenzamide?
The InChIKey is IQODVVFIUWINMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H19N5O3/c31-21-10-4-2-7-18(21)24(32)29-22-12-11-16(14-27-22)25(33)30-15-17-6-1-3-8-19(17)28-23-20(30)9-5-13-26-23/h1-14,31H,15H2,(H,26,28)(H,27,29,32).
What are the key properties of N-[5-(6,11-dihydropyrido[2,3-b][1,4]benzodiazepine-5-carbonyl)-2-pyridinyl]-2-hydroxybenzamide?
N-[5-(6,11-dihydropyrido[2,3-b][1,4]benzodiazepine-5-carbonyl)-2-pyridinyl]-2-hydroxybenzamide has a molecular weight of 437.46 g/mol, XLogP of 4.34, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(6,11-dihydropyrido[2,3-b][1,4]benzodiazepine-5-carbonyl)-2-pyridinyl]-2-hydroxybenzamide is sourced from PubChem (CID 149150179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).