3-methyl-5-(pyridine-3-carbonyl)-3,4-dihydro-1H-1,5-benzodiazepin-2-one

C16H15N3O2 — CID 43837352

IUPAC3-methyl-5-(pyridine-3-carbonyl)-3,4-dihydro-1H-1,5-benzodiazepin-2-one
SMILESCC1CN(C(=O)c2cccnc2)c2ccccc2NC1=O
InChIInChI=1S/C16H15N3O2/c1-11-10-19(16(21)12-5-4-8-17-9-12)14-7-3-2-6-13(14)18-15(11)20/h2-9,11H,10H2,1H3,(H,18,20)
InChIKeyGPFPRXIBYSGBOD-UHFFFAOYSA-N
MW281.31 g/mol
LogP2.32
Rot. Bonds1

About 3-methyl-5-(pyridine-3-carbonyl)-3,4-dihydro-1H-1,5-benzodiazepin-2-one

3-methyl-5-(pyridine-3-carbonyl)-3,4-dihydro-1H-1,5-benzodiazepin-2-one (PubChem CID 43837352) has the molecular formula C16H15N3O2 and a molecular weight of 281.31 g/mol. Its IUPAC name is 3-methyl-5-(pyridine-3-carbonyl)-3,4-dihydro-1H-1,5-benzodiazepin-2-one.

Molecular Properties

Compound Name3-methyl-5-(pyridine-3-carbonyl)-3,4-dihydro-1H-1,5-benzodiazepin-2-one
PubChem CID43837352
Molecular FormulaC16H15N3O2
Molecular Weight281.31 g/mol
Exact Mass281.12
IUPAC Name3-methyl-5-(pyridine-3-carbonyl)-3,4-dihydro-1H-1,5-benzodiazepin-2-one
SMILESCC1CN(C(=O)c2cccnc2)c2ccccc2NC1=O
InChIInChI=1S/C16H15N3O2/c1-11-10-19(16(21)12-5-4-8-17-9-12)14-7-3-2-6-13(14)18-15(11)20/h2-9,11H,10H2,1H3,(H,18,20)
InChIKeyGPFPRXIBYSGBOD-UHFFFAOYSA-N
XLogP2.32
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.31
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-methyl-5-(4-methylbenzoyl)-3,4-dihydro-1H-1,5-benzodiazepin-2-one
CID 20896294
5-(3,5-difluoropyridine-2-carbonyl)-3-methyl-3,4-dihydro-1H-1,5-benzodiazepin-2-one
CID 126811862
3-methyl-5-[3-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]benzoyl]-3,4-dihydro-1H-1,5-benzodiazepin-2-one
CID 126775856
(3S)-3-amino-5-(2-pyridin-3-ylacetyl)-3,4-dihydro-1H-1,5-benzodiazepin-2-one
CID 122531444
(3S)-3-amino-5-(2-pyridin-3-ylacetyl)-3,4-dihydro-1H-1,5-benzodiazepin-2-one;hydrochloride
CID 122531443
1-(pyridine-3-carbonyl)imidazolidin-2-one
CID 57266793
(3S)-3-methyl-5-(2-quinolin-3-ylacetyl)-3,4-dihydro-1H-1,5-benzodiazepin-2-one
CID 124623018
3-methyl-1-(pyridine-3-carbonyl)piperidin-4-one
CID 114499676
(3S)-5-(4-acetylbenzoyl)-3-amino-3,4-dihydro-1H-1,5-benzodiazepin-2-one
CID 118076604
4-(pyridine-3-carbonyl)-2,3-dihydro-1,4-benzoxazine-2-carboxamide
CID 164614304
2-(3-methyl-2-oxo-3,4-dihydro-1H-1,5-benzodiazepin-5-yl)acetic acid
CID 119994276
(3R)-5-[2-(3,4-dimethoxyphenyl)acetyl]-3-methyl-3,4-dihydro-1H-1,5-benzodiazepin-2-one
CID 124587721

Frequently Asked Questions

What is the IUPAC name of 3-methyl-5-(pyridine-3-carbonyl)-3,4-dihydro-1H-1,5-benzodiazepin-2-one?
The IUPAC name of 3-methyl-5-(pyridine-3-carbonyl)-3,4-dihydro-1H-1,5-benzodiazepin-2-one (CID 43837352) is 3-methyl-5-(pyridine-3-carbonyl)-3,4-dihydro-1H-1,5-benzodiazepin-2-one.
What is the SMILES notation for 3-methyl-5-(pyridine-3-carbonyl)-3,4-dihydro-1H-1,5-benzodiazepin-2-one?
The canonical SMILES for 3-methyl-5-(pyridine-3-carbonyl)-3,4-dihydro-1H-1,5-benzodiazepin-2-one is CC1CN(C(=O)c2cccnc2)c2ccccc2NC1=O.
What is the InChIKey of 3-methyl-5-(pyridine-3-carbonyl)-3,4-dihydro-1H-1,5-benzodiazepin-2-one?
The InChIKey is GPFPRXIBYSGBOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O2/c1-11-10-19(16(21)12-5-4-8-17-9-12)14-7-3-2-6-13(14)18-15(11)20/h2-9,11H,10H2,1H3,(H,18,20).
What are the key properties of 3-methyl-5-(pyridine-3-carbonyl)-3,4-dihydro-1H-1,5-benzodiazepin-2-one?
3-methyl-5-(pyridine-3-carbonyl)-3,4-dihydro-1H-1,5-benzodiazepin-2-one has a molecular weight of 281.31 g/mol, XLogP of 2.32, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5-(pyridine-3-carbonyl)-3,4-dihydro-1H-1,5-benzodiazepin-2-one is sourced from PubChem (CID 43837352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).