2-cyclopropyl-N-[1-(4-fluorophenyl)cyclopentyl]pyrimidine-5-carboxamide

C19H20FN3O — CID 136545691

IUPAC2-cyclopropyl-N-[1-(4-fluorophenyl)cyclopentyl]pyrimidine-5-carboxamide
SMILESO=C(NC1(c2ccc(F)cc2)CCCC1)c1cnc(C2CC2)nc1
InChIInChI=1S/C19H20FN3O/c20-16-7-5-15(6-8-16)19(9-1-2-10-19)23-18(24)14-11-21-17(22-12-14)13-3-4-13/h5-8,11-13H,1-4,9-10H2,(H,23,24)
InChIKeyNDLYYZUNKQKFLQ-UHFFFAOYSA-N
MW325.39 g/mol
LogP3.69
Rot. Bonds4

About 2-cyclopropyl-N-[1-(4-fluorophenyl)cyclopentyl]pyrimidine-5-carboxamide

2-cyclopropyl-N-[1-(4-fluorophenyl)cyclopentyl]pyrimidine-5-carboxamide (PubChem CID 136545691) has the molecular formula C19H20FN3O and a molecular weight of 325.39 g/mol. Its IUPAC name is 2-cyclopropyl-N-[1-(4-fluorophenyl)cyclopentyl]pyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-cyclopropyl-N-[1-(4-fluorophenyl)cyclopentyl]pyrimidine-5-carboxamide
PubChem CID136545691
Molecular FormulaC19H20FN3O
Molecular Weight325.39 g/mol
Exact Mass325.16
IUPAC Name2-cyclopropyl-N-[1-(4-fluorophenyl)cyclopentyl]pyrimidine-5-carboxamide
SMILESO=C(NC1(c2ccc(F)cc2)CCCC1)c1cnc(C2CC2)nc1
InChIInChI=1S/C19H20FN3O/c20-16-7-5-15(6-8-16)19(9-1-2-10-19)23-18(24)14-11-21-17(22-12-14)13-3-4-13/h5-8,11-13H,1-4,9-10H2,(H,23,24)
InChIKeyNDLYYZUNKQKFLQ-UHFFFAOYSA-N
XLogP3.69
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.39
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 71936960
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CID 47408173
N-[1-(4-fluorophenyl)cyclobutyl]-4-(trifluoromethyl)benzamide
CID 110445857
4-(aminomethyl)-N-[1-(4-fluorophenyl)cyclopentyl]benzamide;hydrochloride
CID 119305591
2-methylsulfanyl-N-(1-phenylcyclopentyl)pyrimidine-5-carboxamide
CID 16672864
2-(dimethylamino)-N-[1-(3-fluorophenyl)cyclopentyl]pyrimidine-5-carboxamide
CID 46963770
N-[1-(4-fluorophenyl)cyclopentyl]-2-methoxypyridine-3-carboxamide
CID 60589118
N-[1-(4-fluorophenyl)cyclobutyl]-3-methylbenzamide
CID 110441487
N-[1-(4-fluorophenyl)cyclopentyl]-2,4-dimethyl-1,3-thiazole-5-carboxamide
CID 16674468
N-[1-(4-fluorophenyl)cyclopentyl]-3-oxobutanamide
CID 110477392
N-(1-phenylcyclopentyl)pyrimidine-5-carboxamide
CID 110466935

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-N-[1-(4-fluorophenyl)cyclopentyl]pyrimidine-5-carboxamide?
The IUPAC name of 2-cyclopropyl-N-[1-(4-fluorophenyl)cyclopentyl]pyrimidine-5-carboxamide (CID 136545691) is 2-cyclopropyl-N-[1-(4-fluorophenyl)cyclopentyl]pyrimidine-5-carboxamide.
What is the SMILES notation for 2-cyclopropyl-N-[1-(4-fluorophenyl)cyclopentyl]pyrimidine-5-carboxamide?
The canonical SMILES for 2-cyclopropyl-N-[1-(4-fluorophenyl)cyclopentyl]pyrimidine-5-carboxamide is O=C(NC1(c2ccc(F)cc2)CCCC1)c1cnc(C2CC2)nc1.
What is the InChIKey of 2-cyclopropyl-N-[1-(4-fluorophenyl)cyclopentyl]pyrimidine-5-carboxamide?
The InChIKey is NDLYYZUNKQKFLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20FN3O/c20-16-7-5-15(6-8-16)19(9-1-2-10-19)23-18(24)14-11-21-17(22-12-14)13-3-4-13/h5-8,11-13H,1-4,9-10H2,(H,23,24).
What are the key properties of 2-cyclopropyl-N-[1-(4-fluorophenyl)cyclopentyl]pyrimidine-5-carboxamide?
2-cyclopropyl-N-[1-(4-fluorophenyl)cyclopentyl]pyrimidine-5-carboxamide has a molecular weight of 325.39 g/mol, XLogP of 3.69, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-N-[1-(4-fluorophenyl)cyclopentyl]pyrimidine-5-carboxamide is sourced from PubChem (CID 136545691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).