N-(1-phenylcyclopentyl)pyrimidine-5-carboxamide

C16H17N3O — CID 110466935

IUPACN-(1-phenylcyclopentyl)pyrimidine-5-carboxamide
SMILESO=C(NC1(c2ccccc2)CCCC1)c1cncnc1
InChIInChI=1S/C16H17N3O/c20-15(13-10-17-12-18-11-13)19-16(8-4-5-9-16)14-6-2-1-3-7-14/h1-3,6-7,10-12H,4-5,8-9H2,(H,19,20)
InChIKeyBKXKCDOQBIGDJY-UHFFFAOYSA-N
MW267.33 g/mol
LogP2.68
Rot. Bonds3

About N-(1-phenylcyclopentyl)pyrimidine-5-carboxamide

N-(1-phenylcyclopentyl)pyrimidine-5-carboxamide (PubChem CID 110466935) has the molecular formula C16H17N3O and a molecular weight of 267.33 g/mol. Its IUPAC name is N-(1-phenylcyclopentyl)pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-(1-phenylcyclopentyl)pyrimidine-5-carboxamide
PubChem CID110466935
Molecular FormulaC16H17N3O
Molecular Weight267.33 g/mol
Exact Mass267.14
IUPAC NameN-(1-phenylcyclopentyl)pyrimidine-5-carboxamide
SMILESO=C(NC1(c2ccccc2)CCCC1)c1cncnc1
InChIInChI=1S/C16H17N3O/c20-15(13-10-17-12-18-11-13)19-16(8-4-5-9-16)14-6-2-1-3-7-14/h1-3,6-7,10-12H,4-5,8-9H2,(H,19,20)
InChIKeyBKXKCDOQBIGDJY-UHFFFAOYSA-N
XLogP2.68
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(1-phenylcyclopentyl)pyrimidine-5-carboxamide?
The IUPAC name of N-(1-phenylcyclopentyl)pyrimidine-5-carboxamide (CID 110466935) is N-(1-phenylcyclopentyl)pyrimidine-5-carboxamide.
What is the SMILES notation for N-(1-phenylcyclopentyl)pyrimidine-5-carboxamide?
The canonical SMILES for N-(1-phenylcyclopentyl)pyrimidine-5-carboxamide is O=C(NC1(c2ccccc2)CCCC1)c1cncnc1.
What is the InChIKey of N-(1-phenylcyclopentyl)pyrimidine-5-carboxamide?
The InChIKey is BKXKCDOQBIGDJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O/c20-15(13-10-17-12-18-11-13)19-16(8-4-5-9-16)14-6-2-1-3-7-14/h1-3,6-7,10-12H,4-5,8-9H2,(H,19,20).
What are the key properties of N-(1-phenylcyclopentyl)pyrimidine-5-carboxamide?
N-(1-phenylcyclopentyl)pyrimidine-5-carboxamide has a molecular weight of 267.33 g/mol, XLogP of 2.68, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-phenylcyclopentyl)pyrimidine-5-carboxamide is sourced from PubChem (CID 110466935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).