3-(benzylamino)-4-benzylimino-10-methylpyrido[1,2-a][1,3]diazepin-5-one

C24H22N4O — CID 23851656

IUPAC3-(benzylamino)-4-benzylimino-10-methylpyrido[1,2-a][1,3]diazepin-5-one
SMILESCc1cccn2c(=O)/c(=N\Cc3ccccc3)c(NCc3ccccc3)cnc12
InChIInChI=1S/C24H22N4O/c1-18-9-8-14-28-23(18)27-17-21(25-15-19-10-4-2-5-11-19)22(24(28)29)26-16-20-12-6-3-7-13-20/h2-14,17,25H,15-16H2,1H3/b26-22-
InChIKeyFKCURHVRNRUXLT-ROMGYVFFSA-N
MW382.47 g/mol
LogP3.72
Rot. Bonds5

About 3-(benzylamino)-4-benzylimino-10-methylpyrido[1,2-a][1,3]diazepin-5-one

3-(benzylamino)-4-benzylimino-10-methylpyrido[1,2-a][1,3]diazepin-5-one (PubChem CID 23851656) has the molecular formula C24H22N4O and a molecular weight of 382.47 g/mol. Its IUPAC name is 3-(benzylamino)-4-benzylimino-10-methylpyrido[1,2-a][1,3]diazepin-5-one.

Molecular Properties

Compound Name3-(benzylamino)-4-benzylimino-10-methylpyrido[1,2-a][1,3]diazepin-5-one
PubChem CID23851656
Molecular FormulaC24H22N4O
Molecular Weight382.47 g/mol
Exact Mass382.18
IUPAC Name3-(benzylamino)-4-benzylimino-10-methylpyrido[1,2-a][1,3]diazepin-5-one
SMILESCc1cccn2c(=O)/c(=N\Cc3ccccc3)c(NCc3ccccc3)cnc12
InChIInChI=1S/C24H22N4O/c1-18-9-8-14-28-23(18)27-17-21(25-15-19-10-4-2-5-11-19)22(24(28)29)26-16-20-12-6-3-7-13-20/h2-14,17,25H,15-16H2,1H3/b26-22-
InChIKeyFKCURHVRNRUXLT-ROMGYVFFSA-N
XLogP3.72
TPSA58.76 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.47
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

9-methyl-4-oxo-N-(pyridin-3-ylmethyl)pyrido[1,2-a]pyrimidine-3-carboxamide
CID 53013788
9-methyl-2-[(4-methylphenyl)methylamino]-3-[(4-methylphenyl)methyliminomethyl]pyrido[1,2-a]pyrimidin-4-one
CID 2149733
2-methoxy-N-(9-methyl-4-oxopyrido[1,2-a]pyrimidin-3-yl)benzamide
CID 18891605
3-(diaminomethyl)-9-methylpyrido[1,2-a]pyrimidin-4-one
CID 118424269
9-methyl-3-[3-(2-phenylethyl)-1,2,4-oxadiazol-5-yl]pyrido[1,2-a]pyrimidin-4-one
CID 75471492
8-methyl-3-(2-phenylethylsulfanylmethyl)imidazo[1,2-a]pyridine
CID 10379052
N-benzyl-8-methyl-2-(2-methylphenyl)imidazo[1,2-a]pyridin-3-amine
CID 808812
2-[(4-methoxyphenyl)methylamino]-3-[(4-methoxyphenyl)methyliminomethyl]-9-methylpyrido[1,2-a]pyrimidin-4-one
CID 1189624
N-butyl-9-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
CID 46364466
9-methyl-4-oxo-N-[2-(4-phenylphenoxy)ethyl]pyrido[1,2-a]pyrimidine-3-carboxamide
CID 46976398
N-benzyl-2-methylaniline;propanoic acid
CID 175171674
2,2-dimethyl-1-(8-methylimidazo[1,2-a]pyridin-3-yl)propan-1-amine
CID 76849636

Frequently Asked Questions

What is the IUPAC name of 3-(benzylamino)-4-benzylimino-10-methylpyrido[1,2-a][1,3]diazepin-5-one?
The IUPAC name of 3-(benzylamino)-4-benzylimino-10-methylpyrido[1,2-a][1,3]diazepin-5-one (CID 23851656) is 3-(benzylamino)-4-benzylimino-10-methylpyrido[1,2-a][1,3]diazepin-5-one.
What is the SMILES notation for 3-(benzylamino)-4-benzylimino-10-methylpyrido[1,2-a][1,3]diazepin-5-one?
The canonical SMILES for 3-(benzylamino)-4-benzylimino-10-methylpyrido[1,2-a][1,3]diazepin-5-one is Cc1cccn2c(=O)/c(=N\Cc3ccccc3)c(NCc3ccccc3)cnc12.
What is the InChIKey of 3-(benzylamino)-4-benzylimino-10-methylpyrido[1,2-a][1,3]diazepin-5-one?
The InChIKey is FKCURHVRNRUXLT-ROMGYVFFSA-N. The full InChI is InChI=1S/C24H22N4O/c1-18-9-8-14-28-23(18)27-17-21(25-15-19-10-4-2-5-11-19)22(24(28)29)26-16-20-12-6-3-7-13-20/h2-14,17,25H,15-16H2,1H3/b26-22-.
What are the key properties of 3-(benzylamino)-4-benzylimino-10-methylpyrido[1,2-a][1,3]diazepin-5-one?
3-(benzylamino)-4-benzylimino-10-methylpyrido[1,2-a][1,3]diazepin-5-one has a molecular weight of 382.47 g/mol, XLogP of 3.72, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(benzylamino)-4-benzylimino-10-methylpyrido[1,2-a][1,3]diazepin-5-one is sourced from PubChem (CID 23851656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).