N-[(3,5-dimethyl-4-oxo-1H-pyridin-2-yl)methyl]-6-(2-methylpropyl)-2-oxo-1H-pyrimidine-4-carboxamide

C17H22N4O3 — CID 91760409

IUPACN-[(3,5-dimethyl-4-oxo-1H-pyridin-2-yl)methyl]-6-(2-methylpropyl)-2-oxo-1H-pyrimidine-4-carboxamide
SMILESCc1c[nH]c(CNC(=O)c2cc(CC(C)C)[nH]c(=O)n2)c(C)c1=O
InChIInChI=1S/C17H22N4O3/c1-9(2)5-12-6-13(21-17(24)20-12)16(23)19-8-14-11(4)15(22)10(3)7-18-14/h6-7,9H,5,8H2,1-4H3,(H,18,22)(H,19,23)(H,20,21,24)
InChIKeyVQQNBKLEKRILDD-UHFFFAOYSA-N
MW330.39 g/mol
LogP1.20
Rot. Bonds5

About N-[(3,5-dimethyl-4-oxo-1H-pyridin-2-yl)methyl]-6-(2-methylpropyl)-2-oxo-1H-pyrimidine-4-carboxamide

N-[(3,5-dimethyl-4-oxo-1H-pyridin-2-yl)methyl]-6-(2-methylpropyl)-2-oxo-1H-pyrimidine-4-carboxamide (PubChem CID 91760409) has the molecular formula C17H22N4O3 and a molecular weight of 330.39 g/mol. Its IUPAC name is N-[(3,5-dimethyl-4-oxo-1H-pyridin-2-yl)methyl]-6-(2-methylpropyl)-2-oxo-1H-pyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-[(3,5-dimethyl-4-oxo-1H-pyridin-2-yl)methyl]-6-(2-methylpropyl)-2-oxo-1H-pyrimidine-4-carboxamide
PubChem CID91760409
Molecular FormulaC17H22N4O3
Molecular Weight330.39 g/mol
Exact Mass330.17
IUPAC NameN-[(3,5-dimethyl-4-oxo-1H-pyridin-2-yl)methyl]-6-(2-methylpropyl)-2-oxo-1H-pyrimidine-4-carboxamide
SMILESCc1c[nH]c(CNC(=O)c2cc(CC(C)C)[nH]c(=O)n2)c(C)c1=O
InChIInChI=1S/C17H22N4O3/c1-9(2)5-12-6-13(21-17(24)20-12)16(23)19-8-14-11(4)15(22)10(3)7-18-14/h6-7,9H,5,8H2,1-4H3,(H,18,22)(H,19,23)(H,20,21,24)
InChIKeyVQQNBKLEKRILDD-UHFFFAOYSA-N
XLogP1.20
TPSA107.71 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.39
LogP ≤ 51.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze N-[(3,5-dimethyl-4-oxo-1H-pyridin-2-yl)methyl]-6-(2-methylpropyl)-2-oxo-1H-pyrimidine-4-carboxamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[(3,5-dimethyl-4-oxo-1H-pyridin-2-yl)methyl]-6-(2-methylpropyl)-2-oxo-1H-pyrimidine-4-carboxamide?
The IUPAC name of N-[(3,5-dimethyl-4-oxo-1H-pyridin-2-yl)methyl]-6-(2-methylpropyl)-2-oxo-1H-pyrimidine-4-carboxamide (CID 91760409) is N-[(3,5-dimethyl-4-oxo-1H-pyridin-2-yl)methyl]-6-(2-methylpropyl)-2-oxo-1H-pyrimidine-4-carboxamide.
What is the SMILES notation for N-[(3,5-dimethyl-4-oxo-1H-pyridin-2-yl)methyl]-6-(2-methylpropyl)-2-oxo-1H-pyrimidine-4-carboxamide?
The canonical SMILES for N-[(3,5-dimethyl-4-oxo-1H-pyridin-2-yl)methyl]-6-(2-methylpropyl)-2-oxo-1H-pyrimidine-4-carboxamide is Cc1c[nH]c(CNC(=O)c2cc(CC(C)C)[nH]c(=O)n2)c(C)c1=O.
What is the InChIKey of N-[(3,5-dimethyl-4-oxo-1H-pyridin-2-yl)methyl]-6-(2-methylpropyl)-2-oxo-1H-pyrimidine-4-carboxamide?
The InChIKey is VQQNBKLEKRILDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O3/c1-9(2)5-12-6-13(21-17(24)20-12)16(23)19-8-14-11(4)15(22)10(3)7-18-14/h6-7,9H,5,8H2,1-4H3,(H,18,22)(H,19,23)(H,20,21,24).
What are the key properties of N-[(3,5-dimethyl-4-oxo-1H-pyridin-2-yl)methyl]-6-(2-methylpropyl)-2-oxo-1H-pyrimidine-4-carboxamide?
N-[(3,5-dimethyl-4-oxo-1H-pyridin-2-yl)methyl]-6-(2-methylpropyl)-2-oxo-1H-pyrimidine-4-carboxamide has a molecular weight of 330.39 g/mol, XLogP of 1.20, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,5-dimethyl-4-oxo-1H-pyridin-2-yl)methyl]-6-(2-methylpropyl)-2-oxo-1H-pyrimidine-4-carboxamide is sourced from PubChem (CID 91760409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).