N-propylpyrimidine-4-carboxamide

C8H11N3O — CID 89156251

IUPACN-propylpyrimidine-4-carboxamide
SMILESCCCNC(=O)c1ccncn1
InChIInChI=1S/C8H11N3O/c1-2-4-10-8(12)7-3-5-9-6-11-7/h3,5-6H,2,4H2,1H3,(H,10,12)
InChIKeyRGKFSUCJRNDTCR-UHFFFAOYSA-N
MW165.20 g/mol
LogP0.62
Rot. Bonds3

About N-propylpyrimidine-4-carboxamide

N-propylpyrimidine-4-carboxamide (PubChem CID 89156251) has the molecular formula C8H11N3O and a molecular weight of 165.20 g/mol. Its IUPAC name is N-propylpyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-propylpyrimidine-4-carboxamide
PubChem CID89156251
Molecular FormulaC8H11N3O
Molecular Weight165.20 g/mol
Exact Mass165.09
IUPAC NameN-propylpyrimidine-4-carboxamide
SMILESCCCNC(=O)c1ccncn1
InChIInChI=1S/C8H11N3O/c1-2-4-10-8(12)7-3-5-9-6-11-7/h3,5-6H,2,4H2,1H3,(H,10,12)
InChIKeyRGKFSUCJRNDTCR-UHFFFAOYSA-N
XLogP0.62
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.20
LogP ≤ 50.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-propylpyrimidine-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

N-(2-oxopropyl)pyrimidine-4-carboxamide
CID 89020208
N-(2,2-difluorobutyl)pyrimidine-4-carboxamide
CID 90125008
N-[2-(icosa-5,8,11,14,17-pentaenoylamino)ethyl]pyrimidine-4-carboxamide
CID 123694479
N-(2-thiophen-2-ylethyl)pyrimidine-4-carboxamide
CID 110699104
6-methyl-N-propylpyrimidine-4-carboxamide
CID 110847771
N-(3-morpholin-4-ylpropyl)pyrimidine-4-carboxamide
CID 141309481
N-[2-(4-phenoxyphenyl)ethyl]pyrimidine-4-carboxamide
CID 142259175
5-nitro-N-propylpyridine-2-carboxamide
CID 21405282
N-propylpyridazine-3-carboxamide
CID 89418818
6-ethoxy-N-propylpyrimidine-4-carboxamide
CID 121167565
5-hydrazinyl-N-propylpyridine-2-carboxamide
CID 104642261
2-(4-chloroanilino)-N-propylpyrimidine-4-carboxamide
CID 109295039

Frequently Asked Questions

What is the IUPAC name of N-propylpyrimidine-4-carboxamide?
The IUPAC name of N-propylpyrimidine-4-carboxamide (CID 89156251) is N-propylpyrimidine-4-carboxamide.
What is the SMILES notation for N-propylpyrimidine-4-carboxamide?
The canonical SMILES for N-propylpyrimidine-4-carboxamide is CCCNC(=O)c1ccncn1.
What is the InChIKey of N-propylpyrimidine-4-carboxamide?
The InChIKey is RGKFSUCJRNDTCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3O/c1-2-4-10-8(12)7-3-5-9-6-11-7/h3,5-6H,2,4H2,1H3,(H,10,12).
What are the key properties of N-propylpyrimidine-4-carboxamide?
N-propylpyrimidine-4-carboxamide has a molecular weight of 165.20 g/mol, XLogP of 0.62, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-propylpyrimidine-4-carboxamide is sourced from PubChem (CID 89156251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).