2-anilino-N-[(1S)-1-(4-cyclopentyl-1,2,4-triazol-3-yl)ethyl]pyrimidine-5-carboxamide

C20H23N7O — CID 125173992

IUPAC2-anilino-N-[(1S)-1-(4-cyclopentyl-1,2,4-triazol-3-yl)ethyl]pyrimidine-5-carboxamide
SMILESC[C@H](NC(=O)c1cnc(Nc2ccccc2)nc1)c1nncn1C1CCCC1
InChIInChI=1S/C20H23N7O/c1-14(18-26-23-13-27(18)17-9-5-6-10-17)24-19(28)15-11-21-20(22-12-15)25-16-7-3-2-4-8-16/h2-4,7-8,11-14,17H,5-6,9-10H2,1H3,(H,24,28)(H,21,22,25)/t14-/m0/s1
InChIKeyDEGFPOLXBUDUEX-AWEZNQCLSA-N
MW377.45 g/mol
LogP3.42
Rot. Bonds6

About 2-anilino-N-[(1S)-1-(4-cyclopentyl-1,2,4-triazol-3-yl)ethyl]pyrimidine-5-carboxamide

2-anilino-N-[(1S)-1-(4-cyclopentyl-1,2,4-triazol-3-yl)ethyl]pyrimidine-5-carboxamide (PubChem CID 125173992) has the molecular formula C20H23N7O and a molecular weight of 377.45 g/mol. Its IUPAC name is 2-anilino-N-[(1S)-1-(4-cyclopentyl-1,2,4-triazol-3-yl)ethyl]pyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-anilino-N-[(1S)-1-(4-cyclopentyl-1,2,4-triazol-3-yl)ethyl]pyrimidine-5-carboxamide
PubChem CID125173992
Molecular FormulaC20H23N7O
Molecular Weight377.45 g/mol
Exact Mass377.20
IUPAC Name2-anilino-N-[(1S)-1-(4-cyclopentyl-1,2,4-triazol-3-yl)ethyl]pyrimidine-5-carboxamide
SMILESC[C@H](NC(=O)c1cnc(Nc2ccccc2)nc1)c1nncn1C1CCCC1
InChIInChI=1S/C20H23N7O/c1-14(18-26-23-13-27(18)17-9-5-6-10-17)24-19(28)15-11-21-20(22-12-15)25-16-7-3-2-4-8-16/h2-4,7-8,11-14,17H,5-6,9-10H2,1H3,(H,24,28)(H,21,22,25)/t14-/m0/s1
InChIKeyDEGFPOLXBUDUEX-AWEZNQCLSA-N
XLogP3.42
TPSA97.62 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.45
LogP ≤ 53.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 2-anilino-N-[(1S)-1-(4-cyclopentyl-1,2,4-triazol-3-yl)ethyl]pyrimidine-5-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-[(1R)-1-(4-cyclopentyl-1,2,4-triazol-3-yl)ethyl]-2-methoxypyrimidine-5-carboxamide
CID 126426674
N-[(1S)-1-(4-cyclopentyl-1,2,4-triazol-3-yl)ethyl]-2-methoxypyrimidine-5-carboxamide
CID 126426673
1-benzyl-N-[1-(4-cyclopentyl-1,2,4-triazol-3-yl)ethyl]pyrazole-4-carboxamide
CID 118777279
N-[1-(4-cyclopentyl-1,2,4-triazol-3-yl)ethyl]-4-pyridin-4-ylbenzamide
CID 68512967
N-[(1R)-1-(4-cyclopentyl-1,2,4-triazol-3-yl)ethyl]-3-(1,2,4-triazol-4-yl)benzamide
CID 125166249
acetic acid;3-(2-aminoethoxy)-N-[1-(4-cyclopentyl-1,2,4-triazol-3-yl)ethyl]benzamide
CID 154904698
N-[1-(4-cyclopentyl-1,2,4-triazol-3-yl)ethyl]-4-oxo-4-phenylbutanamide
CID 118786649
N-[1-(4-cyclopentyl-1,2,4-triazol-3-yl)ethyl]-2-phenylsulfanylacetamide
CID 118773114
N-[(1S)-1-(4-cyclopentyl-1,2,4-triazol-3-yl)ethyl]-5-ethylthiophene-3-carboxamide
CID 125174195
N-[(1R)-1-(4-cyclopentyl-1,2,4-triazol-3-yl)ethyl]-1-methylimidazole-2-carboxamide
CID 124843003
N-[(1R)-1-(4-cyclopentyl-1,2,4-triazol-3-yl)ethyl]-3-methyl-3-phenylbutanamide
CID 125165723
N-[(1S)-1-(4-cyclopentyl-1,2,4-triazol-3-yl)ethyl]-2-methylfuran-3-carboxamide
CID 125162457

Frequently Asked Questions

What is the IUPAC name of 2-anilino-N-[(1S)-1-(4-cyclopentyl-1,2,4-triazol-3-yl)ethyl]pyrimidine-5-carboxamide?
The IUPAC name of 2-anilino-N-[(1S)-1-(4-cyclopentyl-1,2,4-triazol-3-yl)ethyl]pyrimidine-5-carboxamide (CID 125173992) is 2-anilino-N-[(1S)-1-(4-cyclopentyl-1,2,4-triazol-3-yl)ethyl]pyrimidine-5-carboxamide.
What is the SMILES notation for 2-anilino-N-[(1S)-1-(4-cyclopentyl-1,2,4-triazol-3-yl)ethyl]pyrimidine-5-carboxamide?
The canonical SMILES for 2-anilino-N-[(1S)-1-(4-cyclopentyl-1,2,4-triazol-3-yl)ethyl]pyrimidine-5-carboxamide is C[C@H](NC(=O)c1cnc(Nc2ccccc2)nc1)c1nncn1C1CCCC1.
What is the InChIKey of 2-anilino-N-[(1S)-1-(4-cyclopentyl-1,2,4-triazol-3-yl)ethyl]pyrimidine-5-carboxamide?
The InChIKey is DEGFPOLXBUDUEX-AWEZNQCLSA-N. The full InChI is InChI=1S/C20H23N7O/c1-14(18-26-23-13-27(18)17-9-5-6-10-17)24-19(28)15-11-21-20(22-12-15)25-16-7-3-2-4-8-16/h2-4,7-8,11-14,17H,5-6,9-10H2,1H3,(H,24,28)(H,21,22,25)/t14-/m0/s1.
What are the key properties of 2-anilino-N-[(1S)-1-(4-cyclopentyl-1,2,4-triazol-3-yl)ethyl]pyrimidine-5-carboxamide?
2-anilino-N-[(1S)-1-(4-cyclopentyl-1,2,4-triazol-3-yl)ethyl]pyrimidine-5-carboxamide has a molecular weight of 377.45 g/mol, XLogP of 3.42, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-anilino-N-[(1S)-1-(4-cyclopentyl-1,2,4-triazol-3-yl)ethyl]pyrimidine-5-carboxamide is sourced from PubChem (CID 125173992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).