N-cyclopentyl-2-(3-methoxyanilino)pyrimidine-5-carboxamide

C17H20N4O2 — CID 109249645

IUPACN-cyclopentyl-2-(3-methoxyanilino)pyrimidine-5-carboxamide
SMILESCOc1cccc(Nc2ncc(C(=O)NC3CCCC3)cn2)c1
InChIInChI=1S/C17H20N4O2/c1-23-15-8-4-7-14(9-15)21-17-18-10-12(11-19-17)16(22)20-13-5-2-3-6-13/h4,7-11,13H,2-3,5-6H2,1H3,(H,20,22)(H,18,19,21)
InChIKeyWQXKNDGMBCMBQT-UHFFFAOYSA-N
MW312.37 g/mol
LogP2.90
Rot. Bonds5

About N-cyclopentyl-2-(3-methoxyanilino)pyrimidine-5-carboxamide

N-cyclopentyl-2-(3-methoxyanilino)pyrimidine-5-carboxamide (PubChem CID 109249645) has the molecular formula C17H20N4O2 and a molecular weight of 312.37 g/mol. Its IUPAC name is N-cyclopentyl-2-(3-methoxyanilino)pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-cyclopentyl-2-(3-methoxyanilino)pyrimidine-5-carboxamide
PubChem CID109249645
Molecular FormulaC17H20N4O2
Molecular Weight312.37 g/mol
Exact Mass312.16
IUPAC NameN-cyclopentyl-2-(3-methoxyanilino)pyrimidine-5-carboxamide
SMILESCOc1cccc(Nc2ncc(C(=O)NC3CCCC3)cn2)c1
InChIInChI=1S/C17H20N4O2/c1-23-15-8-4-7-14(9-15)21-17-18-10-12(11-19-17)16(22)20-13-5-2-3-6-13/h4,7-11,13H,2-3,5-6H2,1H3,(H,20,22)(H,18,19,21)
InChIKeyWQXKNDGMBCMBQT-UHFFFAOYSA-N
XLogP2.90
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.37
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-cycloheptyl-2-(3-methoxyanilino)pyrimidine-5-carboxamide
CID 109263127
N-cyclopentyl-6-(3-methoxyanilino)pyridine-3-carboxamide
CID 1447829
2-(3-chloroanilino)-N-cyclohexylpyrimidine-5-carboxamide
CID 109250380
2-(3-chloroanilino)-N-cycloheptylpyrimidine-5-carboxamide
CID 109263115
2-(3-acetylanilino)-N-cyclopropylpyrimidine-5-carboxamide
CID 109247399
2-(3-cyanoanilino)-N-cyclopentylpyrimidine-5-carboxamide
CID 109249705
N-cycloheptyl-2-(3,4-dimethylanilino)pyrimidine-5-carboxamide
CID 109263097
N-cycloheptyl-2-[3-(trifluoromethyl)anilino]pyrimidine-5-carboxamide
CID 109263138
N-cyclohexyl-2-(3-methoxyanilino)-6-methylpyrimidine-4-carboxamide
CID 109322884
N-cyclohexyl-2-(3,4,5-trimethoxyanilino)pyrimidine-5-carboxamide
CID 109250436
N-cyclohexyl-3-[(3-methoxyphenyl)sulfamoyl]benzamide
CID 109063440
N-cyclopentyl-2-(3,4-difluoroanilino)pyrimidine-5-carboxamide
CID 109249710

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-2-(3-methoxyanilino)pyrimidine-5-carboxamide?
The IUPAC name of N-cyclopentyl-2-(3-methoxyanilino)pyrimidine-5-carboxamide (CID 109249645) is N-cyclopentyl-2-(3-methoxyanilino)pyrimidine-5-carboxamide.
What is the SMILES notation for N-cyclopentyl-2-(3-methoxyanilino)pyrimidine-5-carboxamide?
The canonical SMILES for N-cyclopentyl-2-(3-methoxyanilino)pyrimidine-5-carboxamide is COc1cccc(Nc2ncc(C(=O)NC3CCCC3)cn2)c1.
What is the InChIKey of N-cyclopentyl-2-(3-methoxyanilino)pyrimidine-5-carboxamide?
The InChIKey is WQXKNDGMBCMBQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O2/c1-23-15-8-4-7-14(9-15)21-17-18-10-12(11-19-17)16(22)20-13-5-2-3-6-13/h4,7-11,13H,2-3,5-6H2,1H3,(H,20,22)(H,18,19,21).
What are the key properties of N-cyclopentyl-2-(3-methoxyanilino)pyrimidine-5-carboxamide?
N-cyclopentyl-2-(3-methoxyanilino)pyrimidine-5-carboxamide has a molecular weight of 312.37 g/mol, XLogP of 2.90, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-2-(3-methoxyanilino)pyrimidine-5-carboxamide is sourced from PubChem (CID 109249645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).