2-(3-acetylanilino)-N-cyclopropylpyrimidine-5-carboxamide

C16H16N4O2 — CID 109247399

IUPAC2-(3-acetylanilino)-N-cyclopropylpyrimidine-5-carboxamide
SMILESCC(=O)c1cccc(Nc2ncc(C(=O)NC3CC3)cn2)c1
InChIInChI=1S/C16H16N4O2/c1-10(21)11-3-2-4-14(7-11)20-16-17-8-12(9-18-16)15(22)19-13-5-6-13/h2-4,7-9,13H,5-6H2,1H3,(H,19,22)(H,17,18,20)
InChIKeyKIMUGWOUQMGZGZ-UHFFFAOYSA-N
MW296.33 g/mol
LogP2.32
Rot. Bonds5

About 2-(3-acetylanilino)-N-cyclopropylpyrimidine-5-carboxamide

2-(3-acetylanilino)-N-cyclopropylpyrimidine-5-carboxamide (PubChem CID 109247399) has the molecular formula C16H16N4O2 and a molecular weight of 296.33 g/mol. Its IUPAC name is 2-(3-acetylanilino)-N-cyclopropylpyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-(3-acetylanilino)-N-cyclopropylpyrimidine-5-carboxamide
PubChem CID109247399
Molecular FormulaC16H16N4O2
Molecular Weight296.33 g/mol
Exact Mass296.13
IUPAC Name2-(3-acetylanilino)-N-cyclopropylpyrimidine-5-carboxamide
SMILESCC(=O)c1cccc(Nc2ncc(C(=O)NC3CC3)cn2)c1
InChIInChI=1S/C16H16N4O2/c1-10(21)11-3-2-4-14(7-11)20-16-17-8-12(9-18-16)15(22)19-13-5-6-13/h2-4,7-9,13H,5-6H2,1H3,(H,19,22)(H,17,18,20)
InChIKeyKIMUGWOUQMGZGZ-UHFFFAOYSA-N
XLogP2.32
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.33
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-(3-acetylanilino)-N-cyclopropylpyrimidine-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-cyclopentyl-2-(3-methoxyanilino)pyrimidine-5-carboxamide
CID 109249645
N-cycloheptyl-2-(3-methoxyanilino)pyrimidine-5-carboxamide
CID 109263127
2-(3-chloroanilino)-N-cyclohexylpyrimidine-5-carboxamide
CID 109250380
2-(3-chloroanilino)-N-cycloheptylpyrimidine-5-carboxamide
CID 109263115
N-cyclopropyl-2-(3,4-dichloroanilino)pyrimidine-5-carboxamide
CID 109247436
2-(3-acetamidoanilino)-N-(1,1-dioxothiolan-3-yl)pyrimidine-5-carboxamide
CID 109260824
N-(3-acetylphenyl)-2-(3-chloroanilino)pyrimidine-5-carboxamide
CID 109268784
2-(3-cyanoanilino)-N-cyclopentylpyrimidine-5-carboxamide
CID 109249705
1-N-(3-acetylphenyl)-3-N-cyclopentylbenzene-1,3-dicarboxamide
CID 109051927
1-[3-(pyrimidin-2-ylamino)phenyl]ethanone
CID 115028227
N-cycloheptyl-2-[3-(trifluoromethyl)anilino]pyrimidine-5-carboxamide
CID 109263138
2-(3-acetylanilino)-N-(3-methoxypropyl)pyrimidine-5-carboxamide
CID 109251797

Frequently Asked Questions

What is the IUPAC name of 2-(3-acetylanilino)-N-cyclopropylpyrimidine-5-carboxamide?
The IUPAC name of 2-(3-acetylanilino)-N-cyclopropylpyrimidine-5-carboxamide (CID 109247399) is 2-(3-acetylanilino)-N-cyclopropylpyrimidine-5-carboxamide.
What is the SMILES notation for 2-(3-acetylanilino)-N-cyclopropylpyrimidine-5-carboxamide?
The canonical SMILES for 2-(3-acetylanilino)-N-cyclopropylpyrimidine-5-carboxamide is CC(=O)c1cccc(Nc2ncc(C(=O)NC3CC3)cn2)c1.
What is the InChIKey of 2-(3-acetylanilino)-N-cyclopropylpyrimidine-5-carboxamide?
The InChIKey is KIMUGWOUQMGZGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4O2/c1-10(21)11-3-2-4-14(7-11)20-16-17-8-12(9-18-16)15(22)19-13-5-6-13/h2-4,7-9,13H,5-6H2,1H3,(H,19,22)(H,17,18,20).
What are the key properties of 2-(3-acetylanilino)-N-cyclopropylpyrimidine-5-carboxamide?
2-(3-acetylanilino)-N-cyclopropylpyrimidine-5-carboxamide has a molecular weight of 296.33 g/mol, XLogP of 2.32, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-acetylanilino)-N-cyclopropylpyrimidine-5-carboxamide is sourced from PubChem (CID 109247399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).