N-(4-acetamidophenyl)-2-(cyclopentylamino)pyrimidine-4-carboxamide

C18H21N5O2 — CID 109297982

IUPACN-(4-acetamidophenyl)-2-(cyclopentylamino)pyrimidine-4-carboxamide
SMILESCC(=O)Nc1ccc(NC(=O)c2ccnc(NC3CCCC3)n2)cc1
InChIInChI=1S/C18H21N5O2/c1-12(24)20-14-6-8-15(9-7-14)21-17(25)16-10-11-19-18(23-16)22-13-4-2-3-5-13/h6-11,13H,2-5H2,1H3,(H,20,24)(H,21,25)(H,19,22,23)
InChIKeyGEKCBZNGMGHFKR-UHFFFAOYSA-N
MW339.40 g/mol
LogP3.04
Rot. Bonds5

About N-(4-acetamidophenyl)-2-(cyclopentylamino)pyrimidine-4-carboxamide

N-(4-acetamidophenyl)-2-(cyclopentylamino)pyrimidine-4-carboxamide (PubChem CID 109297982) has the molecular formula C18H21N5O2 and a molecular weight of 339.40 g/mol. Its IUPAC name is N-(4-acetamidophenyl)-2-(cyclopentylamino)pyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-(4-acetamidophenyl)-2-(cyclopentylamino)pyrimidine-4-carboxamide
PubChem CID109297982
Molecular FormulaC18H21N5O2
Molecular Weight339.40 g/mol
Exact Mass339.17
IUPAC NameN-(4-acetamidophenyl)-2-(cyclopentylamino)pyrimidine-4-carboxamide
SMILESCC(=O)Nc1ccc(NC(=O)c2ccnc(NC3CCCC3)n2)cc1
InChIInChI=1S/C18H21N5O2/c1-12(24)20-14-6-8-15(9-7-14)21-17(25)16-10-11-19-18(23-16)22-13-4-2-3-5-13/h6-11,13H,2-5H2,1H3,(H,20,24)(H,21,25)(H,19,22,23)
InChIKeyGEKCBZNGMGHFKR-UHFFFAOYSA-N
XLogP3.04
TPSA96.01 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.40
LogP ≤ 53.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-acetamidophenyl)-2-(cyclohexylamino)pyrimidine-4-carboxamide
CID 109298724
2-(cycloheptylamino)-N-(4-methoxyphenyl)pyrimidine-4-carboxamide
CID 109311475
2-(cyclohexylamino)-N-[4-(diethylamino)phenyl]pyrimidine-4-carboxamide
CID 109298731
2-(cyclopentylamino)-N-(3,5-dichlorophenyl)pyrimidine-4-carboxamide
CID 109298018
N-(4-cyanophenyl)-2-(cycloheptylamino)pyrimidine-4-carboxamide
CID 109311519
2-(cyclopentylamino)-N-(4-phenoxyphenyl)pyrimidine-4-carboxamide
CID 109297996
N-(3-acetylphenyl)-2-(cyclohexylamino)pyrimidine-4-carboxamide
CID 109298721
N-(3-chlorophenyl)-2-(cyclopentylamino)pyrimidine-4-carboxamide
CID 109297953
N-(4-acetamidophenyl)-2-(cyclohexylamino)-6-methylpyrimidine-4-carboxamide
CID 109322742
2-(4-acetamidoanilino)-N-cyclohexylpyrimidine-4-carboxamide
CID 109298906
2-(cyclopentylamino)-N-(2,6-dimethylphenyl)pyrimidine-4-carboxamide
CID 109297937
N-cycloheptyl-2-(cycloheptylamino)pyrimidine-4-carboxamide
CID 109311427

Frequently Asked Questions

What is the IUPAC name of N-(4-acetamidophenyl)-2-(cyclopentylamino)pyrimidine-4-carboxamide?
The IUPAC name of N-(4-acetamidophenyl)-2-(cyclopentylamino)pyrimidine-4-carboxamide (CID 109297982) is N-(4-acetamidophenyl)-2-(cyclopentylamino)pyrimidine-4-carboxamide.
What is the SMILES notation for N-(4-acetamidophenyl)-2-(cyclopentylamino)pyrimidine-4-carboxamide?
The canonical SMILES for N-(4-acetamidophenyl)-2-(cyclopentylamino)pyrimidine-4-carboxamide is CC(=O)Nc1ccc(NC(=O)c2ccnc(NC3CCCC3)n2)cc1.
What is the InChIKey of N-(4-acetamidophenyl)-2-(cyclopentylamino)pyrimidine-4-carboxamide?
The InChIKey is GEKCBZNGMGHFKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N5O2/c1-12(24)20-14-6-8-15(9-7-14)21-17(25)16-10-11-19-18(23-16)22-13-4-2-3-5-13/h6-11,13H,2-5H2,1H3,(H,20,24)(H,21,25)(H,19,22,23).
What are the key properties of N-(4-acetamidophenyl)-2-(cyclopentylamino)pyrimidine-4-carboxamide?
N-(4-acetamidophenyl)-2-(cyclopentylamino)pyrimidine-4-carboxamide has a molecular weight of 339.40 g/mol, XLogP of 3.04, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetamidophenyl)-2-(cyclopentylamino)pyrimidine-4-carboxamide is sourced from PubChem (CID 109297982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).