1-methyl-5-[(2-pyridin-2-yl-6,7,8,9-tetrahydro-5H-pyrimido[4,5-d]azepin-4-yl)amino]piperidin-2-one

C19H24N6O — CID 50983762

IUPAC1-methyl-5-[(2-pyridin-2-yl-6,7,8,9-tetrahydro-5H-pyrimido[4,5-d]azepin-4-yl)amino]piperidin-2-one
SMILESCN1CC(Nc2nc(-c3ccccn3)nc3c2CCNCC3)CCC1=O
InChIInChI=1S/C19H24N6O/c1-25-12-13(5-6-17(25)26)22-18-14-7-10-20-11-8-15(14)23-19(24-18)16-4-2-3-9-21-16/h2-4,9,13,20H,5-8,10-12H2,1H3,(H,22,23,24)
InChIKeyPRGWEFXRCPHVKW-UHFFFAOYSA-N
MW352.44 g/mol
LogP1.26
Rot. Bonds3

About 1-methyl-5-[(2-pyridin-2-yl-6,7,8,9-tetrahydro-5H-pyrimido[4,5-d]azepin-4-yl)amino]piperidin-2-one

1-methyl-5-[(2-pyridin-2-yl-6,7,8,9-tetrahydro-5H-pyrimido[4,5-d]azepin-4-yl)amino]piperidin-2-one (PubChem CID 50983762) has the molecular formula C19H24N6O and a molecular weight of 352.44 g/mol. Its IUPAC name is 1-methyl-5-[(2-pyridin-2-yl-6,7,8,9-tetrahydro-5H-pyrimido[4,5-d]azepin-4-yl)amino]piperidin-2-one.

Molecular Properties

Compound Name1-methyl-5-[(2-pyridin-2-yl-6,7,8,9-tetrahydro-5H-pyrimido[4,5-d]azepin-4-yl)amino]piperidin-2-one
PubChem CID50983762
Molecular FormulaC19H24N6O
Molecular Weight352.44 g/mol
Exact Mass352.20
IUPAC Name1-methyl-5-[(2-pyridin-2-yl-6,7,8,9-tetrahydro-5H-pyrimido[4,5-d]azepin-4-yl)amino]piperidin-2-one
SMILESCN1CC(Nc2nc(-c3ccccn3)nc3c2CCNCC3)CCC1=O
InChIInChI=1S/C19H24N6O/c1-25-12-13(5-6-17(25)26)22-18-14-7-10-20-11-8-15(14)23-19(24-18)16-4-2-3-9-21-16/h2-4,9,13,20H,5-8,10-12H2,1H3,(H,22,23,24)
InChIKeyPRGWEFXRCPHVKW-UHFFFAOYSA-N
XLogP1.26
TPSA83.04 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.44
LogP ≤ 51.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 1-methyl-5-[(2-pyridin-2-yl-6,7,8,9-tetrahydro-5H-pyrimido[4,5-d]azepin-4-yl)amino]piperidin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(1-methyl-6-methylidenepiperidin-3-yl)-2-pyridin-2-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
CID 157371099
1-[2-[(2-pyridin-2-yl-6,7,8,9-tetrahydro-5H-pyrimido[4,5-d]azepin-4-yl)amino]ethyl]pyrrolidin-2-one
CID 50982829
N-(1-benzylpyrrolidin-3-yl)-2-pyridin-2-yl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-amine
CID 56884802
5-[(3-chloro-2-pyridinyl)amino]-1-methylpiperidin-2-one
CID 64669595
N-methyl-2-[(1-methyl-6-oxopiperidin-3-yl)amino]pyridine-3-carboxamide
CID 134703000
5-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-ylamino)-1-methylpiperidin-2-one
CID 64669197
2-pyridin-2-yl-N-(1-thiophen-2-ylethyl)-6,7,8,9-tetrahydro-5H-pyrimido[4,5-d]azepin-4-amine
CID 70777142
N-[(2R,3S)-1-methyl-2-phenylpyrrolidin-3-yl]-2-pyridin-2-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
CID 124840393
3-methoxy-1-[4-[(2-pyridin-2-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)amino]piperidin-1-yl]propan-1-one
CID 133377520
N-(1,4-dioxan-2-ylmethyl)-2-pyridin-2-yl-6,7,8,9-tetrahydro-5H-pyrimido[4,5-d]azepin-4-amine
CID 46985591
N-[[(2R)-1,4-dioxan-2-yl]methyl]-2-pyridin-2-yl-6,7,8,9-tetrahydro-5H-pyrimido[4,5-d]azepin-4-amine
CID 95046220
2-ethyl-N-[(3R)-1-pyrimidin-2-ylpiperidin-3-yl]-6,7,8,9-tetrahydro-5H-pyrimido[4,5-d]azepin-4-amine
CID 95869294

Frequently Asked Questions

What is the IUPAC name of 1-methyl-5-[(2-pyridin-2-yl-6,7,8,9-tetrahydro-5H-pyrimido[4,5-d]azepin-4-yl)amino]piperidin-2-one?
The IUPAC name of 1-methyl-5-[(2-pyridin-2-yl-6,7,8,9-tetrahydro-5H-pyrimido[4,5-d]azepin-4-yl)amino]piperidin-2-one (CID 50983762) is 1-methyl-5-[(2-pyridin-2-yl-6,7,8,9-tetrahydro-5H-pyrimido[4,5-d]azepin-4-yl)amino]piperidin-2-one.
What is the SMILES notation for 1-methyl-5-[(2-pyridin-2-yl-6,7,8,9-tetrahydro-5H-pyrimido[4,5-d]azepin-4-yl)amino]piperidin-2-one?
The canonical SMILES for 1-methyl-5-[(2-pyridin-2-yl-6,7,8,9-tetrahydro-5H-pyrimido[4,5-d]azepin-4-yl)amino]piperidin-2-one is CN1CC(Nc2nc(-c3ccccn3)nc3c2CCNCC3)CCC1=O.
What is the InChIKey of 1-methyl-5-[(2-pyridin-2-yl-6,7,8,9-tetrahydro-5H-pyrimido[4,5-d]azepin-4-yl)amino]piperidin-2-one?
The InChIKey is PRGWEFXRCPHVKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N6O/c1-25-12-13(5-6-17(25)26)22-18-14-7-10-20-11-8-15(14)23-19(24-18)16-4-2-3-9-21-16/h2-4,9,13,20H,5-8,10-12H2,1H3,(H,22,23,24).
What are the key properties of 1-methyl-5-[(2-pyridin-2-yl-6,7,8,9-tetrahydro-5H-pyrimido[4,5-d]azepin-4-yl)amino]piperidin-2-one?
1-methyl-5-[(2-pyridin-2-yl-6,7,8,9-tetrahydro-5H-pyrimido[4,5-d]azepin-4-yl)amino]piperidin-2-one has a molecular weight of 352.44 g/mol, XLogP of 1.26, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-5-[(2-pyridin-2-yl-6,7,8,9-tetrahydro-5H-pyrimido[4,5-d]azepin-4-yl)amino]piperidin-2-one is sourced from PubChem (CID 50983762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).