N-(3-chlorophenyl)-2-(cyclopentylamino)pyrimidine-4-carboxamide

C16H17ClN4O — CID 109297953

IUPACN-(3-chlorophenyl)-2-(cyclopentylamino)pyrimidine-4-carboxamide
SMILESO=C(Nc1cccc(Cl)c1)c1ccnc(NC2CCCC2)n1
InChIInChI=1S/C16H17ClN4O/c17-11-4-3-7-13(10-11)19-15(22)14-8-9-18-16(21-14)20-12-5-1-2-6-12/h3-4,7-10,12H,1-2,5-6H2,(H,19,22)(H,18,20,21)
InChIKeyKFASLHBDYWMFFF-UHFFFAOYSA-N
MW316.79 g/mol
LogP3.74
Rot. Bonds4

About N-(3-chlorophenyl)-2-(cyclopentylamino)pyrimidine-4-carboxamide

N-(3-chlorophenyl)-2-(cyclopentylamino)pyrimidine-4-carboxamide (PubChem CID 109297953) has the molecular formula C16H17ClN4O and a molecular weight of 316.79 g/mol. Its IUPAC name is N-(3-chlorophenyl)-2-(cyclopentylamino)pyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-(3-chlorophenyl)-2-(cyclopentylamino)pyrimidine-4-carboxamide
PubChem CID109297953
Molecular FormulaC16H17ClN4O
Molecular Weight316.79 g/mol
Exact Mass316.11
IUPAC NameN-(3-chlorophenyl)-2-(cyclopentylamino)pyrimidine-4-carboxamide
SMILESO=C(Nc1cccc(Cl)c1)c1ccnc(NC2CCCC2)n1
InChIInChI=1S/C16H17ClN4O/c17-11-4-3-7-13(10-11)19-15(22)14-8-9-18-16(21-14)20-12-5-1-2-6-12/h3-4,7-10,12H,1-2,5-6H2,(H,19,22)(H,18,20,21)
InChIKeyKFASLHBDYWMFFF-UHFFFAOYSA-N
XLogP3.74
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 ≤ 53.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(cyclopentylamino)-N-(3,5-dichlorophenyl)pyrimidine-4-carboxamide
CID 109298018
N-(3-acetylphenyl)-2-(cyclohexylamino)pyrimidine-4-carboxamide
CID 109298721
N-(3-cyanophenyl)-2-(cyclohexylamino)pyrimidine-4-carboxamide
CID 109298766
N-(4-acetamidophenyl)-2-(cyclopentylamino)pyrimidine-4-carboxamide
CID 109297982
N-(3-chlorophenyl)-2-(cycloheptylamino)pyrimidine-5-carboxamide
CID 109263215
N-(4-acetamidophenyl)-2-(cyclohexylamino)pyrimidine-4-carboxamide
CID 109298724
2-N-(3-chlorophenyl)-6-N-cyclopentylpyridine-2,6-dicarboxamide
CID 109095035
2-(cyclopentylamino)-N-(2,3-dichlorophenyl)pyrimidine-4-carboxamide
CID 109298020
2-(cyclopentylamino)-N-(2,6-dimethylphenyl)pyrimidine-4-carboxamide
CID 109297937
N-(3-chlorophenyl)-6-(cyclohexylamino)-2-methylpyrimidine-4-carboxamide
CID 109363869
2-(cyclopentylamino)-N-(4-phenoxyphenyl)pyrimidine-4-carboxamide
CID 109297996
2-(cycloheptylamino)-N-(4-methoxyphenyl)pyrimidine-4-carboxamide
CID 109311475

Frequently Asked Questions

What is the IUPAC name of N-(3-chlorophenyl)-2-(cyclopentylamino)pyrimidine-4-carboxamide?
The IUPAC name of N-(3-chlorophenyl)-2-(cyclopentylamino)pyrimidine-4-carboxamide (CID 109297953) is N-(3-chlorophenyl)-2-(cyclopentylamino)pyrimidine-4-carboxamide.
What is the SMILES notation for N-(3-chlorophenyl)-2-(cyclopentylamino)pyrimidine-4-carboxamide?
The canonical SMILES for N-(3-chlorophenyl)-2-(cyclopentylamino)pyrimidine-4-carboxamide is O=C(Nc1cccc(Cl)c1)c1ccnc(NC2CCCC2)n1.
What is the InChIKey of N-(3-chlorophenyl)-2-(cyclopentylamino)pyrimidine-4-carboxamide?
The InChIKey is KFASLHBDYWMFFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClN4O/c17-11-4-3-7-13(10-11)19-15(22)14-8-9-18-16(21-14)20-12-5-1-2-6-12/h3-4,7-10,12H,1-2,5-6H2,(H,19,22)(H,18,20,21).
What are the key properties of N-(3-chlorophenyl)-2-(cyclopentylamino)pyrimidine-4-carboxamide?
N-(3-chlorophenyl)-2-(cyclopentylamino)pyrimidine-4-carboxamide has a molecular weight of 316.79 g/mol, XLogP of 3.74, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chlorophenyl)-2-(cyclopentylamino)pyrimidine-4-carboxamide is sourced from PubChem (CID 109297953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).