N-cyclopentyl-2-(N-ethylanilino)pyrimidine-5-carboxamide

C18H22N4O — CID 109249620

IUPACN-cyclopentyl-2-(N-ethylanilino)pyrimidine-5-carboxamide
SMILESCCN(c1ccccc1)c1ncc(C(=O)NC2CCCC2)cn1
InChIInChI=1S/C18H22N4O/c1-2-22(16-10-4-3-5-11-16)18-19-12-14(13-20-18)17(23)21-15-8-6-7-9-15/h3-5,10-13,15H,2,6-9H2,1H3,(H,21,23)
InChIKeyVPLKCSNXEDZVNB-UHFFFAOYSA-N
MW310.40 g/mol
LogP3.31
Rot. Bonds5

About N-cyclopentyl-2-(N-ethylanilino)pyrimidine-5-carboxamide

N-cyclopentyl-2-(N-ethylanilino)pyrimidine-5-carboxamide (PubChem CID 109249620) has the molecular formula C18H22N4O and a molecular weight of 310.40 g/mol. Its IUPAC name is N-cyclopentyl-2-(N-ethylanilino)pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-cyclopentyl-2-(N-ethylanilino)pyrimidine-5-carboxamide
PubChem CID109249620
Molecular FormulaC18H22N4O
Molecular Weight310.40 g/mol
Exact Mass310.18
IUPAC NameN-cyclopentyl-2-(N-ethylanilino)pyrimidine-5-carboxamide
SMILESCCN(c1ccccc1)c1ncc(C(=O)NC2CCCC2)cn1
InChIInChI=1S/C18H22N4O/c1-2-22(16-10-4-3-5-11-16)18-19-12-14(13-20-18)17(23)21-15-8-6-7-9-15/h3-5,10-13,15H,2,6-9H2,1H3,(H,21,23)
InChIKeyVPLKCSNXEDZVNB-UHFFFAOYSA-N
XLogP3.31
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.40
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(dimethylamino)ethyl]-2-(N-ethylanilino)pyrimidine-5-carboxamide
CID 109252763
N-(1,1-dioxothiolan-3-yl)-2-(N-ethyl-3-methylanilino)pyrimidine-5-carboxamide
CID 109260839
N-cycloheptyl-2-(dipropylamino)pyrimidine-5-carboxamide
CID 109263085
[2-(N-ethylanilino)pyrimidin-5-yl]-piperidin-1-ylmethanone
CID 109249997
2-(N-ethylanilino)-N-[(4-methylphenyl)methyl]pyrimidine-5-carboxamide
CID 109256137
3-N-cycloheptyl-5-N-ethyl-5-N-phenylpyridine-3,5-dicarboxamide
CID 109107040
N-cyclohexyl-6-(N-ethylanilino)-2-methylpyrimidine-4-carboxamide
CID 109364018
2-(N-ethylanilino)-N-[(2-fluorophenyl)methyl]pyrimidine-5-carboxamide
CID 109256934
N-(2-ethoxyphenyl)-2-(N-ethylanilino)pyrimidine-5-carboxamide
CID 109267666
N-(2,4-dimethylphenyl)-2-(N-ethylanilino)pyrimidine-5-carboxamide
CID 109266377
N-(3,4-difluorophenyl)-2-(N-ethylanilino)pyrimidine-5-carboxamide
CID 109267710
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(N-ethylanilino)pyrimidine-5-carboxamide
CID 109267691

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-2-(N-ethylanilino)pyrimidine-5-carboxamide?
The IUPAC name of N-cyclopentyl-2-(N-ethylanilino)pyrimidine-5-carboxamide (CID 109249620) is N-cyclopentyl-2-(N-ethylanilino)pyrimidine-5-carboxamide.
What is the SMILES notation for N-cyclopentyl-2-(N-ethylanilino)pyrimidine-5-carboxamide?
The canonical SMILES for N-cyclopentyl-2-(N-ethylanilino)pyrimidine-5-carboxamide is CCN(c1ccccc1)c1ncc(C(=O)NC2CCCC2)cn1.
What is the InChIKey of N-cyclopentyl-2-(N-ethylanilino)pyrimidine-5-carboxamide?
The InChIKey is VPLKCSNXEDZVNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O/c1-2-22(16-10-4-3-5-11-16)18-19-12-14(13-20-18)17(23)21-15-8-6-7-9-15/h3-5,10-13,15H,2,6-9H2,1H3,(H,21,23).
What are the key properties of N-cyclopentyl-2-(N-ethylanilino)pyrimidine-5-carboxamide?
N-cyclopentyl-2-(N-ethylanilino)pyrimidine-5-carboxamide has a molecular weight of 310.40 g/mol, XLogP of 3.31, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-2-(N-ethylanilino)pyrimidine-5-carboxamide is sourced from PubChem (CID 109249620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).