6-(3-chloroanilino)-N-cyclopentylpyrimidine-4-carboxamide

C16H17ClN4O — CID 109341488

IUPAC6-(3-chloroanilino)-N-cyclopentylpyrimidine-4-carboxamide
SMILESO=C(NC1CCCC1)c1cc(Nc2cccc(Cl)c2)ncn1
InChIInChI=1S/C16H17ClN4O/c17-11-4-3-7-13(8-11)20-15-9-14(18-10-19-15)16(22)21-12-5-1-2-6-12/h3-4,7-10,12H,1-2,5-6H2,(H,21,22)(H,18,19,20)
InChIKeyFEAKPXZIWYGWCR-UHFFFAOYSA-N
MW316.79 g/mol
LogP3.55
Rot. Bonds4

About 6-(3-chloroanilino)-N-cyclopentylpyrimidine-4-carboxamide

6-(3-chloroanilino)-N-cyclopentylpyrimidine-4-carboxamide (PubChem CID 109341488) has the molecular formula C16H17ClN4O and a molecular weight of 316.79 g/mol. Its IUPAC name is 6-(3-chloroanilino)-N-cyclopentylpyrimidine-4-carboxamide.

Molecular Properties

Compound Name6-(3-chloroanilino)-N-cyclopentylpyrimidine-4-carboxamide
PubChem CID109341488
Molecular FormulaC16H17ClN4O
Molecular Weight316.79 g/mol
Exact Mass316.11
IUPAC Name6-(3-chloroanilino)-N-cyclopentylpyrimidine-4-carboxamide
SMILESO=C(NC1CCCC1)c1cc(Nc2cccc(Cl)c2)ncn1
InChIInChI=1S/C16H17ClN4O/c17-11-4-3-7-13(8-11)20-15-9-14(18-10-19-15)16(22)21-12-5-1-2-6-12/h3-4,7-10,12H,1-2,5-6H2,(H,21,22)(H,18,19,20)
InChIKeyFEAKPXZIWYGWCR-UHFFFAOYSA-N
XLogP3.55
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.79
LogP ≤ 53.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-anilino-N-cyclopentylpyrimidine-4-carboxamide
CID 109341462
N-cycloheptyl-6-(3-methylanilino)pyrimidine-4-carboxamide
CID 109354049
6-(3-acetamidoanilino)-N-cyclohexylpyrimidine-4-carboxamide
CID 109342093
6-(3-chloroanilino)-N-cyclohexyl-2-methylpyrimidine-4-carboxamide
CID 109364026
methyl 3-[[6-(cyclopentylcarbamoyl)pyrimidin-4-yl]amino]benzoate
CID 109341519
N-cyclohexyl-6-(2,5-dichloroanilino)pyrimidine-4-carboxamide
CID 109342121
6-[4-chloro-3-(trifluoromethyl)anilino]-N-cyclopentylpyrimidine-4-carboxamide
CID 109341546
N-cyclopropyl-6-(2,6-dichloroanilino)pyrimidine-4-carboxamide
CID 109339399
6-(4-bromoanilino)-N-cyclopentylpyrimidine-4-carboxamide
CID 109341498
2-N-(3-chlorophenyl)-6-N-cyclopentylpyridine-2,6-dicarboxamide
CID 109095035
6-[4-chloro-3-(trifluoromethyl)anilino]-N-cyclopropylpyrimidine-4-carboxamide
CID 109339391
N-cyclopentyl-6-(3,4-dimethoxyanilino)pyrimidine-4-carboxamide
CID 109341510

Frequently Asked Questions

What is the IUPAC name of 6-(3-chloroanilino)-N-cyclopentylpyrimidine-4-carboxamide?
The IUPAC name of 6-(3-chloroanilino)-N-cyclopentylpyrimidine-4-carboxamide (CID 109341488) is 6-(3-chloroanilino)-N-cyclopentylpyrimidine-4-carboxamide.
What is the SMILES notation for 6-(3-chloroanilino)-N-cyclopentylpyrimidine-4-carboxamide?
The canonical SMILES for 6-(3-chloroanilino)-N-cyclopentylpyrimidine-4-carboxamide is O=C(NC1CCCC1)c1cc(Nc2cccc(Cl)c2)ncn1.
What is the InChIKey of 6-(3-chloroanilino)-N-cyclopentylpyrimidine-4-carboxamide?
The InChIKey is FEAKPXZIWYGWCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClN4O/c17-11-4-3-7-13(8-11)20-15-9-14(18-10-19-15)16(22)21-12-5-1-2-6-12/h3-4,7-10,12H,1-2,5-6H2,(H,21,22)(H,18,19,20).
What are the key properties of 6-(3-chloroanilino)-N-cyclopentylpyrimidine-4-carboxamide?
6-(3-chloroanilino)-N-cyclopentylpyrimidine-4-carboxamide has a molecular weight of 316.79 g/mol, XLogP of 3.55, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-chloroanilino)-N-cyclopentylpyrimidine-4-carboxamide is sourced from PubChem (CID 109341488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).