(6R)-1-(5,6-dimethyl-2-oxo-1H-pyridine-3-carbonyl)-4-methyl-1,4-diazepane-6-carboxamide

C15H22N4O3 — CID 124970408

IUPAC(6R)-1-(5,6-dimethyl-2-oxo-1H-pyridine-3-carbonyl)-4-methyl-1,4-diazepane-6-carboxamide
SMILESCc1cc(C(=O)N2CCN(C)C[C@@H](C(N)=O)C2)c(=O)[nH]c1C
InChIInChI=1S/C15H22N4O3/c1-9-6-12(14(21)17-10(9)2)15(22)19-5-4-18(3)7-11(8-19)13(16)20/h6,11H,4-5,7-8H2,1-3H3,(H2,16,20)(H,17,21)/t11-/m1/s1
InChIKeyJPYNPPNBHNQTDM-LLVKDONJSA-N
MW306.37 g/mol
LogP-0.52
Rot. Bonds2

About (6R)-1-(5,6-dimethyl-2-oxo-1H-pyridine-3-carbonyl)-4-methyl-1,4-diazepane-6-carboxamide

(6R)-1-(5,6-dimethyl-2-oxo-1H-pyridine-3-carbonyl)-4-methyl-1,4-diazepane-6-carboxamide (PubChem CID 124970408) has the molecular formula C15H22N4O3 and a molecular weight of 306.37 g/mol. Its IUPAC name is (6R)-1-(5,6-dimethyl-2-oxo-1H-pyridine-3-carbonyl)-4-methyl-1,4-diazepane-6-carboxamide.

Molecular Properties

Compound Name(6R)-1-(5,6-dimethyl-2-oxo-1H-pyridine-3-carbonyl)-4-methyl-1,4-diazepane-6-carboxamide
PubChem CID124970408
Molecular FormulaC15H22N4O3
Molecular Weight306.37 g/mol
Exact Mass306.17
IUPAC Name(6R)-1-(5,6-dimethyl-2-oxo-1H-pyridine-3-carbonyl)-4-methyl-1,4-diazepane-6-carboxamide
SMILESCc1cc(C(=O)N2CCN(C)C[C@@H](C(N)=O)C2)c(=O)[nH]c1C
InChIInChI=1S/C15H22N4O3/c1-9-6-12(14(21)17-10(9)2)15(22)19-5-4-18(3)7-11(8-19)13(16)20/h6,11H,4-5,7-8H2,1-3H3,(H2,16,20)(H,17,21)/t11-/m1/s1
InChIKeyJPYNPPNBHNQTDM-LLVKDONJSA-N
XLogP-0.52
TPSA99.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.37
LogP ≤ 5-0.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (6R)-1-(5,6-dimethyl-2-oxo-1H-pyridine-3-carbonyl)-4-methyl-1,4-diazepane-6-carboxamide 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

(6S)-1-acetyl-4-(2-oxo-1,5,6,7-tetrahydrocyclopenta[b]pyridine-3-carbonyl)-1,4-diazepane-6-carboxamide
CID 125011136
5,6-dimethyl-3-[(3S)-3-(naphthalene-1-carbonyl)piperidine-1-carbonyl]-1H-pyridin-2-one
CID 25305199
3-[4-(4-methoxybenzoyl)piperazine-1-carbonyl]-5,6-dimethyl-1H-pyridin-2-one
CID 70752830
(6S)-1-methyl-4-(2-methyl-3H-benzimidazole-5-carbonyl)-1,4-diazepane-6-carboxamide
CID 124964374
(6R)-1-methyl-4-(2-methyl-3H-benzimidazole-5-carbonyl)-1,4-diazepane-6-carboxamide
CID 124964373
1-methyl-4-(5-methylpyrazine-2-carbonyl)-1,4-diazepane-6-carboxamide
CID 110098404
3-[(3S)-3-(1,4-dimethylimidazol-2-yl)piperidine-1-carbonyl]-5,6-dimethyl-1H-pyridin-2-one
CID 124960618
5,6-dimethyl-3-[(3S)-3-(5-methyl-1H-imidazol-2-yl)pyrrolidine-1-carbonyl]-1H-pyridin-2-one
CID 124951395
5,6-dimethyl-3-[(3S)-3-(4-phenoxybenzoyl)piperidine-1-carbonyl]-1H-pyridin-2-one
CID 25455356
5,6-dimethyl-3-[4-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)piperidine-1-carbonyl]-1H-pyridin-2-one
CID 70711804
(6S)-1-methyl-4-(4-methyl-1,3-thiazole-5-carbonyl)-1,4-diazepane-6-carboxamide
CID 124956759
5,6-dimethyl-3-[3-(4-propan-2-ylanilino)piperidine-1-carbonyl]-1H-pyridin-2-one
CID 56915957

Frequently Asked Questions

What is the IUPAC name of (6R)-1-(5,6-dimethyl-2-oxo-1H-pyridine-3-carbonyl)-4-methyl-1,4-diazepane-6-carboxamide?
The IUPAC name of (6R)-1-(5,6-dimethyl-2-oxo-1H-pyridine-3-carbonyl)-4-methyl-1,4-diazepane-6-carboxamide (CID 124970408) is (6R)-1-(5,6-dimethyl-2-oxo-1H-pyridine-3-carbonyl)-4-methyl-1,4-diazepane-6-carboxamide.
What is the SMILES notation for (6R)-1-(5,6-dimethyl-2-oxo-1H-pyridine-3-carbonyl)-4-methyl-1,4-diazepane-6-carboxamide?
The canonical SMILES for (6R)-1-(5,6-dimethyl-2-oxo-1H-pyridine-3-carbonyl)-4-methyl-1,4-diazepane-6-carboxamide is Cc1cc(C(=O)N2CCN(C)C[C@@H](C(N)=O)C2)c(=O)[nH]c1C.
What is the InChIKey of (6R)-1-(5,6-dimethyl-2-oxo-1H-pyridine-3-carbonyl)-4-methyl-1,4-diazepane-6-carboxamide?
The InChIKey is JPYNPPNBHNQTDM-LLVKDONJSA-N. The full InChI is InChI=1S/C15H22N4O3/c1-9-6-12(14(21)17-10(9)2)15(22)19-5-4-18(3)7-11(8-19)13(16)20/h6,11H,4-5,7-8H2,1-3H3,(H2,16,20)(H,17,21)/t11-/m1/s1.
What are the key properties of (6R)-1-(5,6-dimethyl-2-oxo-1H-pyridine-3-carbonyl)-4-methyl-1,4-diazepane-6-carboxamide?
(6R)-1-(5,6-dimethyl-2-oxo-1H-pyridine-3-carbonyl)-4-methyl-1,4-diazepane-6-carboxamide has a molecular weight of 306.37 g/mol, XLogP of -0.52, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (6R)-1-(5,6-dimethyl-2-oxo-1H-pyridine-3-carbonyl)-4-methyl-1,4-diazepane-6-carboxamide is sourced from PubChem (CID 124970408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).