N-[5-(6,11-dihydrobenzo[b][1,4]benzodiazepine-5-carbonyl)-2-pyridinyl]-2-pyridin-4-ylbenzamide

C31H23N5O2 — CID 22099803

IUPACN-[5-(6,11-dihydrobenzo[b][1,4]benzodiazepine-5-carbonyl)-2-pyridinyl]-2-pyridin-4-ylbenzamide
SMILESO=C(Nc1ccc(C(=O)N2Cc3ccccc3Nc3ccccc32)cn1)c1ccccc1-c1ccncc1
InChIInChI=1S/C31H23N5O2/c37-30(25-9-3-2-8-24(25)21-15-17-32-18-16-21)35-29-14-13-22(19-33-29)31(38)36-20-23-7-1-4-10-26(23)34-27-11-5-6-12-28(27)36/h1-19,34H,20H2,(H,33,35,37)
InChIKeyUUHBNRNRTXPMFJ-UHFFFAOYSA-N
MW497.56 g/mol
LogP6.30
Rot. Bonds4

About N-[5-(6,11-dihydrobenzo[b][1,4]benzodiazepine-5-carbonyl)-2-pyridinyl]-2-pyridin-4-ylbenzamide

N-[5-(6,11-dihydrobenzo[b][1,4]benzodiazepine-5-carbonyl)-2-pyridinyl]-2-pyridin-4-ylbenzamide (PubChem CID 22099803) has the molecular formula C31H23N5O2 and a molecular weight of 497.56 g/mol. Its IUPAC name is N-[5-(6,11-dihydrobenzo[b][1,4]benzodiazepine-5-carbonyl)-2-pyridinyl]-2-pyridin-4-ylbenzamide.

Molecular Properties

Compound NameN-[5-(6,11-dihydrobenzo[b][1,4]benzodiazepine-5-carbonyl)-2-pyridinyl]-2-pyridin-4-ylbenzamide
PubChem CID22099803
Molecular FormulaC31H23N5O2
Molecular Weight497.56 g/mol
Exact Mass497.19
IUPAC NameN-[5-(6,11-dihydrobenzo[b][1,4]benzodiazepine-5-carbonyl)-2-pyridinyl]-2-pyridin-4-ylbenzamide
SMILESO=C(Nc1ccc(C(=O)N2Cc3ccccc3Nc3ccccc32)cn1)c1ccccc1-c1ccncc1
InChIInChI=1S/C31H23N5O2/c37-30(25-9-3-2-8-24(25)21-15-17-32-18-16-21)35-29-14-13-22(19-33-29)31(38)36-20-23-7-1-4-10-26(23)34-27-11-5-6-12-28(27)36/h1-19,34H,20H2,(H,33,35,37)
InChIKeyUUHBNRNRTXPMFJ-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

Analyze N-[5-(6,11-dihydrobenzo[b][1,4]benzodiazepine-5-carbonyl)-2-pyridinyl]-2-pyridin-4-ylbenzamide with MolForge

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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
2-chloro-N-[5-(5,11-dihydropyrido[3,2-c][1,5]benzodiazepine-6-carbonyl)-2-pyridinyl]pyridine-3-carboxamide
CID 22099633
N-[5-(4,10-dihydropyrazolo[5,1-c][1,4]benzodiazepine-5-carbonyl)-2-pyridinyl]-2-phenylbenzamide
CID 21462557
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-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]-3-methylthiophene-2-carboxamide
CID 22099762
N-[4-(5,11-dihydropyrido[3,2-c][1,5]benzodiazepine-6-carbonyl)-2,5-dimethylphenyl]-2-pyridin-3-ylbenzamide
CID 22099623
N-[5-(6H-benzo[b][1,4]benzoxazepine-5-carbonyl)-2-pyridinyl]-2-chloropyridine-3-carboxamide
CID 22099721
N-[3-chloro-4-(6,11-dihydrobenzo[b][1,4]benzodiazepine-5-carbonyl)phenyl]-2-methylsulfanylpyridine-3-carboxamide
CID 22099691
N-[4-(6,11-dihydrobenzo[c][1]benzazepine-5-carbonyl)-3-methylphenyl]-2-pyridin-3-ylbenzamide
CID 22099878
2-chloro-N-[4-(6,11-dihydropyrido[2,3-b][1,4]benzodiazepine-5-carbonyl)-3-methylphenyl]pyridine-3-carboxamide
CID 22100018

Frequently Asked Questions

What is the IUPAC name of N-[5-(6,11-dihydrobenzo[b][1,4]benzodiazepine-5-carbonyl)-2-pyridinyl]-2-pyridin-4-ylbenzamide?
The IUPAC name of N-[5-(6,11-dihydrobenzo[b][1,4]benzodiazepine-5-carbonyl)-2-pyridinyl]-2-pyridin-4-ylbenzamide (CID 22099803) is N-[5-(6,11-dihydrobenzo[b][1,4]benzodiazepine-5-carbonyl)-2-pyridinyl]-2-pyridin-4-ylbenzamide.
What is the SMILES notation for N-[5-(6,11-dihydrobenzo[b][1,4]benzodiazepine-5-carbonyl)-2-pyridinyl]-2-pyridin-4-ylbenzamide?
The canonical SMILES for N-[5-(6,11-dihydrobenzo[b][1,4]benzodiazepine-5-carbonyl)-2-pyridinyl]-2-pyridin-4-ylbenzamide is O=C(Nc1ccc(C(=O)N2Cc3ccccc3Nc3ccccc32)cn1)c1ccccc1-c1ccncc1.
What is the InChIKey of N-[5-(6,11-dihydrobenzo[b][1,4]benzodiazepine-5-carbonyl)-2-pyridinyl]-2-pyridin-4-ylbenzamide?
The InChIKey is UUHBNRNRTXPMFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H23N5O2/c37-30(25-9-3-2-8-24(25)21-15-17-32-18-16-21)35-29-14-13-22(19-33-29)31(38)36-20-23-7-1-4-10-26(23)34-27-11-5-6-12-28(27)36/h1-19,34H,20H2,(H,33,35,37).
What are the key properties of N-[5-(6,11-dihydrobenzo[b][1,4]benzodiazepine-5-carbonyl)-2-pyridinyl]-2-pyridin-4-ylbenzamide?
N-[5-(6,11-dihydrobenzo[b][1,4]benzodiazepine-5-carbonyl)-2-pyridinyl]-2-pyridin-4-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-[5-(6,11-dihydrobenzo[b][1,4]benzodiazepine-5-carbonyl)-2-pyridinyl]-2-pyridin-4-ylbenzamide is sourced from PubChem (CID 22099803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).