2-cyclopropyl-6-oxo-N-[(1-oxo-2,3-dihydroisoindol-5-yl)methyl]-1H-pyrimidine-4-carboxamide

C17H16N4O3 — CID 154876512

IUPAC2-cyclopropyl-6-oxo-N-[(1-oxo-2,3-dihydroisoindol-5-yl)methyl]-1H-pyrimidine-4-carboxamide
SMILESO=C(NCc1ccc2c(c1)CNC2=O)c1cc(=O)[nH]c(C2CC2)n1
InChIInChI=1S/C17H16N4O3/c22-14-6-13(20-15(21-14)10-2-3-10)17(24)18-7-9-1-4-12-11(5-9)8-19-16(12)23/h1,4-6,10H,2-3,7-8H2,(H,18,24)(H,19,23)(H,20,21,22)
InChIKeyNWAOHZJWPQJFDL-UHFFFAOYSA-N
MW324.34 g/mol
LogP0.82
Rot. Bonds4

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

2-cyclopropyl-6-oxo-N-[(1-oxo-2,3-dihydroisoindol-5-yl)methyl]-1H-pyrimidine-4-carboxamide (PubChem CID 154876512) has the molecular formula C17H16N4O3 and a molecular weight of 324.34 g/mol. Its IUPAC name is 2-cyclopropyl-6-oxo-N-[(1-oxo-2,3-dihydroisoindol-5-yl)methyl]-1H-pyrimidine-4-carboxamide.

Molecular Properties

Compound Name2-cyclopropyl-6-oxo-N-[(1-oxo-2,3-dihydroisoindol-5-yl)methyl]-1H-pyrimidine-4-carboxamide
PubChem CID154876512
Molecular FormulaC17H16N4O3
Molecular Weight324.34 g/mol
Exact Mass324.12
IUPAC Name2-cyclopropyl-6-oxo-N-[(1-oxo-2,3-dihydroisoindol-5-yl)methyl]-1H-pyrimidine-4-carboxamide
SMILESO=C(NCc1ccc2c(c1)CNC2=O)c1cc(=O)[nH]c(C2CC2)n1
InChIInChI=1S/C17H16N4O3/c22-14-6-13(20-15(21-14)10-2-3-10)17(24)18-7-9-1-4-12-11(5-9)8-19-16(12)23/h1,4-6,10H,2-3,7-8H2,(H,18,24)(H,19,23)(H,20,21,22)
InChIKeyNWAOHZJWPQJFDL-UHFFFAOYSA-N
XLogP0.82
TPSA103.95 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.34
LogP ≤ 50.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 2-cyclopropyl-6-oxo-N-[(1-oxo-2,3-dihydroisoindol-5-yl)methyl]-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

Related Compounds

2-cyclopropyl-N-[(4-cyclopropyl-3-fluorophenyl)methyl]-6-oxo-1H-pyrimidine-4-carboxamide
CID 146589899
2-cyclopropyl-N-[2-[(4-fluorophenyl)methyl-methylamino]ethyl]-6-oxo-1H-pyrimidine-4-carboxamide
CID 138004806
2-cyclopropyl-6-oxo-N-[(3-oxocyclobutyl)methyl]-1H-pyrimidine-4-carboxamide
CID 167759812
2-cyclopropyl-N-[[2-(methoxymethyl)-1,3-thiazol-4-yl]methyl]-6-oxo-1H-pyrimidine-4-carboxamide
CID 138005065
2-cyclopropyl-N-[(3-methylimidazo[1,5-a]pyridin-1-yl)methyl]-6-oxo-1H-pyrimidine-4-carboxamide
CID 167970440
6-chloro-1-methyl-N-[(1-oxo-2,3-dihydroisoindol-5-yl)methyl]indole-2-carboxamide
CID 177139910
2-cyclopropyl-N-(2-imidazol-1-ylethyl)-6-oxo-1H-pyrimidine-4-carboxamide
CID 167849047
2-cyclopropyl-N-[(1R,5S)-3-oxabicyclo[3.1.0]hexan-6-yl]-6-oxo-1H-pyrimidine-4-carboxamide
CID 154865335
2-cyclopropyl-6-oxo-N-[(1R)-1-(4-propan-2-ylphenyl)ethyl]-1H-pyrimidine-4-carboxamide
CID 136982709
N-methyl-2-(oxan-4-yl)-6-oxo-1H-pyrimidine-4-carboxamide
CID 146152825
2-cyclopropyl-N-(5-cyclopropyl-1H-pyrazol-4-yl)-6-oxo-1H-pyrimidine-4-carboxamide
CID 154851326
2-cyclopropyl-6-oxo-N-(1-pyrimidin-2-ylcyclobutyl)-1H-pyrimidine-4-carboxamide
CID 166265824

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-6-oxo-N-[(1-oxo-2,3-dihydroisoindol-5-yl)methyl]-1H-pyrimidine-4-carboxamide?
The IUPAC name of 2-cyclopropyl-6-oxo-N-[(1-oxo-2,3-dihydroisoindol-5-yl)methyl]-1H-pyrimidine-4-carboxamide (CID 154876512) is 2-cyclopropyl-6-oxo-N-[(1-oxo-2,3-dihydroisoindol-5-yl)methyl]-1H-pyrimidine-4-carboxamide.
What is the SMILES notation for 2-cyclopropyl-6-oxo-N-[(1-oxo-2,3-dihydroisoindol-5-yl)methyl]-1H-pyrimidine-4-carboxamide?
The canonical SMILES for 2-cyclopropyl-6-oxo-N-[(1-oxo-2,3-dihydroisoindol-5-yl)methyl]-1H-pyrimidine-4-carboxamide is O=C(NCc1ccc2c(c1)CNC2=O)c1cc(=O)[nH]c(C2CC2)n1.
What is the InChIKey of 2-cyclopropyl-6-oxo-N-[(1-oxo-2,3-dihydroisoindol-5-yl)methyl]-1H-pyrimidine-4-carboxamide?
The InChIKey is NWAOHZJWPQJFDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N4O3/c22-14-6-13(20-15(21-14)10-2-3-10)17(24)18-7-9-1-4-12-11(5-9)8-19-16(12)23/h1,4-6,10H,2-3,7-8H2,(H,18,24)(H,19,23)(H,20,21,22).
What are the key properties of 2-cyclopropyl-6-oxo-N-[(1-oxo-2,3-dihydroisoindol-5-yl)methyl]-1H-pyrimidine-4-carboxamide?
2-cyclopropyl-6-oxo-N-[(1-oxo-2,3-dihydroisoindol-5-yl)methyl]-1H-pyrimidine-4-carboxamide has a molecular weight of 324.34 g/mol, XLogP of 0.82, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-6-oxo-N-[(1-oxo-2,3-dihydroisoindol-5-yl)methyl]-1H-pyrimidine-4-carboxamide is sourced from PubChem (CID 154876512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).