N-[4-(6,11-dihydropyrido[2,3-b][1,4]benzodiazepine-5-carbonyl)phenyl]-2-pyridin-3-ylbenzamide

C31H23N5O2 — CID 22099999

IUPACN-[4-(6,11-dihydropyrido[2,3-b][1,4]benzodiazepine-5-carbonyl)phenyl]-2-pyridin-3-ylbenzamide
SMILESO=C(Nc1ccc(C(=O)N2Cc3ccccc3Nc3ncccc32)cc1)c1ccccc1-c1cccnc1
InChIInChI=1S/C31H23N5O2/c37-30(26-10-3-2-9-25(26)22-8-5-17-32-19-22)34-24-15-13-21(14-16-24)31(38)36-20-23-7-1-4-11-27(23)35-29-28(36)12-6-18-33-29/h1-19H,20H2,(H,33,35)(H,34,37)
InChIKeyMFSRKAYRBCVNTI-UHFFFAOYSA-N
MW497.56 g/mol
LogP6.30
Rot. Bonds4

About N-[4-(6,11-dihydropyrido[2,3-b][1,4]benzodiazepine-5-carbonyl)phenyl]-2-pyridin-3-ylbenzamide

N-[4-(6,11-dihydropyrido[2,3-b][1,4]benzodiazepine-5-carbonyl)phenyl]-2-pyridin-3-ylbenzamide (PubChem CID 22099999) has the molecular formula C31H23N5O2 and a molecular weight of 497.56 g/mol. Its IUPAC name is N-[4-(6,11-dihydropyrido[2,3-b][1,4]benzodiazepine-5-carbonyl)phenyl]-2-pyridin-3-ylbenzamide.

Molecular Properties

Compound NameN-[4-(6,11-dihydropyrido[2,3-b][1,4]benzodiazepine-5-carbonyl)phenyl]-2-pyridin-3-ylbenzamide
PubChem CID22099999
Molecular FormulaC31H23N5O2
Molecular Weight497.56 g/mol
Exact Mass497.19
IUPAC NameN-[4-(6,11-dihydropyrido[2,3-b][1,4]benzodiazepine-5-carbonyl)phenyl]-2-pyridin-3-ylbenzamide
SMILESO=C(Nc1ccc(C(=O)N2Cc3ccccc3Nc3ncccc32)cc1)c1ccccc1-c1cccnc1
InChIInChI=1S/C31H23N5O2/c37-30(26-10-3-2-9-25(26)22-8-5-17-32-19-22)34-24-15-13-21(14-16-24)31(38)36-20-23-7-1-4-11-27(23)35-29-28(36)12-6-18-33-29/h1-19H,20H2,(H,33,35)(H,34,37)
InChIKeyMFSRKAYRBCVNTI-UHFFFAOYSA-N
XLogP6.30
TPSA87.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500497.56
LogP ≤ 56.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[5-(6,11-dihydropyrido[2,3-b][1,4]benzodiazepine-5-carbonyl)-2-pyridinyl]-2-hydroxybenzamide
CID 149150179
N-[4-(5,11-dihydropyrido[3,2-c][1,5]benzodiazepine-6-carbonyl)-2,5-dimethylphenyl]-2-pyridin-3-ylbenzamide
CID 22099623
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-[4-(6,11-dihydrobenzo[c][1]benzazepine-5-carbonyl)-3-methylphenyl]-2-pyridin-3-ylbenzamide
CID 22099878
N-[4-(5H-pyrido[2,3-b][1,5]benzoxazepine-6-carbonyl)phenyl]-2-thiophen-3-ylbenzamide
CID 22099547
N-[5-(6,11-dihydropyrido[2,3-b][1,4]benzodiazepine-5-carbonyl)-2-pyridinyl]-3-methylthiophene-2-carboxamide
CID 22099762
2-chloro-N-[5-(5,11-dihydropyrido[3,2-c][1,5]benzodiazepine-6-carbonyl)-2-pyridinyl]pyridine-3-carboxamide
CID 22099633
N-[5-(5,11-dihydropyrido[3,2-c][1,5]benzodiazepine-6-carbonyl)-2-pyridinyl]-2-methylsulfanylbenzamide
CID 22099571
5,11-dihydropyrido[3,2-c][1,5]benzodiazepin-6-yl-(4-fluorophenyl)methanone
CID 59957217
N-[4-(3-oxo-2,4-dihydroquinoxaline-1-carbonyl)phenyl]-2-phenoxypyridine-3-carboxamide
CID 55799126
2-methyl-N-[4-(6H-pyrido[2,3-b][1,4]benzothiazepine-5-carbonyl)phenyl]benzamide
CID 86751686

Frequently Asked Questions

What is the IUPAC name of N-[4-(6,11-dihydropyrido[2,3-b][1,4]benzodiazepine-5-carbonyl)phenyl]-2-pyridin-3-ylbenzamide?
The IUPAC name of N-[4-(6,11-dihydropyrido[2,3-b][1,4]benzodiazepine-5-carbonyl)phenyl]-2-pyridin-3-ylbenzamide (CID 22099999) is N-[4-(6,11-dihydropyrido[2,3-b][1,4]benzodiazepine-5-carbonyl)phenyl]-2-pyridin-3-ylbenzamide.
What is the SMILES notation for N-[4-(6,11-dihydropyrido[2,3-b][1,4]benzodiazepine-5-carbonyl)phenyl]-2-pyridin-3-ylbenzamide?
The canonical SMILES for N-[4-(6,11-dihydropyrido[2,3-b][1,4]benzodiazepine-5-carbonyl)phenyl]-2-pyridin-3-ylbenzamide is O=C(Nc1ccc(C(=O)N2Cc3ccccc3Nc3ncccc32)cc1)c1ccccc1-c1cccnc1.
What is the InChIKey of N-[4-(6,11-dihydropyrido[2,3-b][1,4]benzodiazepine-5-carbonyl)phenyl]-2-pyridin-3-ylbenzamide?
The InChIKey is MFSRKAYRBCVNTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H23N5O2/c37-30(26-10-3-2-9-25(26)22-8-5-17-32-19-22)34-24-15-13-21(14-16-24)31(38)36-20-23-7-1-4-11-27(23)35-29-28(36)12-6-18-33-29/h1-19H,20H2,(H,33,35)(H,34,37).
What are the key properties of N-[4-(6,11-dihydropyrido[2,3-b][1,4]benzodiazepine-5-carbonyl)phenyl]-2-pyridin-3-ylbenzamide?
N-[4-(6,11-dihydropyrido[2,3-b][1,4]benzodiazepine-5-carbonyl)phenyl]-2-pyridin-3-ylbenzamide has a molecular weight of 497.56 g/mol, XLogP of 6.30, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(6,11-dihydropyrido[2,3-b][1,4]benzodiazepine-5-carbonyl)phenyl]-2-pyridin-3-ylbenzamide is sourced from PubChem (CID 22099999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).