3-amino-1-methyl-5-pyridin-3-yl-3H-1,4-benzodiazepin-2-one

C15H14N4O — CID 10084267

IUPAC3-amino-1-methyl-5-pyridin-3-yl-3H-1,4-benzodiazepin-2-one
SMILESCN1C(=O)C(N)N=C(c2cccnc2)c2ccccc21
InChIInChI=1S/C15H14N4O/c1-19-12-7-3-2-6-11(12)13(18-14(16)15(19)20)10-5-4-8-17-9-10/h2-9,14H,16H2,1H3
InChIKeyFJBOCFWIMFEODH-UHFFFAOYSA-N
MW266.30 g/mol
LogP1.18
Rot. Bonds1

About 3-amino-1-methyl-5-pyridin-3-yl-3H-1,4-benzodiazepin-2-one

3-amino-1-methyl-5-pyridin-3-yl-3H-1,4-benzodiazepin-2-one (PubChem CID 10084267) has the molecular formula C15H14N4O and a molecular weight of 266.30 g/mol. Its IUPAC name is 3-amino-1-methyl-5-pyridin-3-yl-3H-1,4-benzodiazepin-2-one.

Molecular Properties

Compound Name3-amino-1-methyl-5-pyridin-3-yl-3H-1,4-benzodiazepin-2-one
PubChem CID10084267
Molecular FormulaC15H14N4O
Molecular Weight266.30 g/mol
Exact Mass266.12
IUPAC Name3-amino-1-methyl-5-pyridin-3-yl-3H-1,4-benzodiazepin-2-one
SMILESCN1C(=O)C(N)N=C(c2cccnc2)c2ccccc21
InChIInChI=1S/C15H14N4O/c1-19-12-7-3-2-6-11(12)13(18-14(16)15(19)20)10-5-4-8-17-9-10/h2-9,14H,16H2,1H3
InChIKeyFJBOCFWIMFEODH-UHFFFAOYSA-N
XLogP1.18
TPSA71.58 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-1,7-dimethyl-5-pyridin-3-yl-3H-1,4-benzodiazepin-2-one
CID 142255110
3-amino-5-(4-fluorophenyl)-1-methyl-3H-1,4-benzodiazepin-2-one
CID 22135256
3-amino-1-methyl-5-[3-(trifluoromethyl)phenyl]-3H-1,4-benzodiazepin-2-one
CID 22472904
3-amino-1,7-dimethyl-5-phenyl-3H-1,4-benzodiazepin-2-one
CID 142254857
3-amino-5-ethyl-1-methyl-3H-1,4-benzodiazepin-2-one
CID 10632563
3-(bromoamino)-1-methyl-5-phenyl-3H-1,4-benzodiazepin-2-one
CID 89225778
3-amino-1-ethyl-5-phenyl-3H-1,4-benzodiazepin-2-one
CID 22135258
3-amino-5-phenyl-1-propan-2-yl-3H-1,4-benzodiazepin-2-one
CID 10589821
3-amino-1-methyl-5-phenyl-3H-thieno[2,3-e][1,4]diazepin-2-one
CID 18969010
3-amino-5-phenyl-1-pyridin-2-yl-3H-1,4-benzodiazepin-2-one
CID 90082698
3-amino-5-(azepan-1-yl)-1-methyl-3H-1,4-benzodiazepin-2-one
CID 22135303
3-amino-7-chloro-5-(2-chlorophenyl)-1-methyl-3H-1,4-benzodiazepin-2-one
CID 22312322

Frequently Asked Questions

What is the IUPAC name of 3-amino-1-methyl-5-pyridin-3-yl-3H-1,4-benzodiazepin-2-one?
The IUPAC name of 3-amino-1-methyl-5-pyridin-3-yl-3H-1,4-benzodiazepin-2-one (CID 10084267) is 3-amino-1-methyl-5-pyridin-3-yl-3H-1,4-benzodiazepin-2-one.
What is the SMILES notation for 3-amino-1-methyl-5-pyridin-3-yl-3H-1,4-benzodiazepin-2-one?
The canonical SMILES for 3-amino-1-methyl-5-pyridin-3-yl-3H-1,4-benzodiazepin-2-one is CN1C(=O)C(N)N=C(c2cccnc2)c2ccccc21.
What is the InChIKey of 3-amino-1-methyl-5-pyridin-3-yl-3H-1,4-benzodiazepin-2-one?
The InChIKey is FJBOCFWIMFEODH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N4O/c1-19-12-7-3-2-6-11(12)13(18-14(16)15(19)20)10-5-4-8-17-9-10/h2-9,14H,16H2,1H3.
What are the key properties of 3-amino-1-methyl-5-pyridin-3-yl-3H-1,4-benzodiazepin-2-one?
3-amino-1-methyl-5-pyridin-3-yl-3H-1,4-benzodiazepin-2-one has a molecular weight of 266.30 g/mol, XLogP of 1.18, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-methyl-5-pyridin-3-yl-3H-1,4-benzodiazepin-2-one is sourced from PubChem (CID 10084267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).