N-cyclopropyl-2-(2-ethylpiperidin-1-yl)pyrimidine-4-carboxamide

C15H22N4O — CID 109295796

IUPACN-cyclopropyl-2-(2-ethylpiperidin-1-yl)pyrimidine-4-carboxamide
SMILESCCC1CCCCN1c1nccc(C(=O)NC2CC2)n1
InChIInChI=1S/C15H22N4O/c1-2-12-5-3-4-10-19(12)15-16-9-8-13(18-15)14(20)17-11-6-7-11/h8-9,11-12H,2-7,10H2,1H3,(H,17,20)
InChIKeyDHDOVBXWLBIYKK-UHFFFAOYSA-N
MW274.37 g/mol
LogP2.14
Rot. Bonds4

About N-cyclopropyl-2-(2-ethylpiperidin-1-yl)pyrimidine-4-carboxamide

N-cyclopropyl-2-(2-ethylpiperidin-1-yl)pyrimidine-4-carboxamide (PubChem CID 109295796) has the molecular formula C15H22N4O and a molecular weight of 274.37 g/mol. Its IUPAC name is N-cyclopropyl-2-(2-ethylpiperidin-1-yl)pyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-2-(2-ethylpiperidin-1-yl)pyrimidine-4-carboxamide
PubChem CID109295796
Molecular FormulaC15H22N4O
Molecular Weight274.37 g/mol
Exact Mass274.18
IUPAC NameN-cyclopropyl-2-(2-ethylpiperidin-1-yl)pyrimidine-4-carboxamide
SMILESCCC1CCCCN1c1nccc(C(=O)NC2CC2)n1
InChIInChI=1S/C15H22N4O/c1-2-12-5-3-4-10-19(12)15-16-9-8-13(18-15)14(20)17-11-6-7-11/h8-9,11-12H,2-7,10H2,1H3,(H,17,20)
InChIKeyDHDOVBXWLBIYKK-UHFFFAOYSA-N
XLogP2.14
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.37
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-ethylpiperidin-1-yl)pyrimidine-4-carboxylic acid
CID 107553615
N-(5-chloro-2-methylphenyl)-2-(2-ethylpiperidin-1-yl)pyrimidine-4-carboxamide
CID 109312495
2-(2-ethylpiperidin-1-yl)-N-(4-piperidin-1-ylphenyl)pyrimidine-4-carboxamide
CID 109312527
N-(3-chlorophenyl)-2-(2-ethylpiperidin-1-yl)pyrimidine-4-carboxamide
CID 109312492
N-(2,3-dichlorophenyl)-2-(2-ethylpiperidin-1-yl)pyrimidine-4-carboxamide
CID 109312543
2-(2-ethylpiperidin-1-yl)-N-[(2-methylphenyl)methyl]pyrimidine-4-carboxamide
CID 109304082
N-(2,3-dimethylphenyl)-2-(2-ethylpiperidin-1-yl)pyrimidine-4-carboxamide
CID 109312478
2-(2-ethylpiperidin-1-yl)-N-[4-(trifluoromethyl)phenyl]pyrimidine-4-carboxamide
CID 109312516
N-(2-tert-butylphenyl)-2-(2-ethylpiperidin-1-yl)pyrimidine-4-carboxamide
CID 109312487
2-(2-ethylpiperidin-1-yl)-N-(2-propan-2-yloxyphenyl)pyrimidine-4-carboxamide
CID 109312509
N-cycloheptyl-2-(2-ethylpiperidin-1-yl)pyrimidine-5-carboxamide
CID 109263083
2-(2-ethylpyrrolidin-1-yl)pyrimidine-4-carbothioamide
CID 107546728

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2-(2-ethylpiperidin-1-yl)pyrimidine-4-carboxamide?
The IUPAC name of N-cyclopropyl-2-(2-ethylpiperidin-1-yl)pyrimidine-4-carboxamide (CID 109295796) is N-cyclopropyl-2-(2-ethylpiperidin-1-yl)pyrimidine-4-carboxamide.
What is the SMILES notation for N-cyclopropyl-2-(2-ethylpiperidin-1-yl)pyrimidine-4-carboxamide?
The canonical SMILES for N-cyclopropyl-2-(2-ethylpiperidin-1-yl)pyrimidine-4-carboxamide is CCC1CCCCN1c1nccc(C(=O)NC2CC2)n1.
What is the InChIKey of N-cyclopropyl-2-(2-ethylpiperidin-1-yl)pyrimidine-4-carboxamide?
The InChIKey is DHDOVBXWLBIYKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4O/c1-2-12-5-3-4-10-19(12)15-16-9-8-13(18-15)14(20)17-11-6-7-11/h8-9,11-12H,2-7,10H2,1H3,(H,17,20).
What are the key properties of N-cyclopropyl-2-(2-ethylpiperidin-1-yl)pyrimidine-4-carboxamide?
N-cyclopropyl-2-(2-ethylpiperidin-1-yl)pyrimidine-4-carboxamide has a molecular weight of 274.37 g/mol, XLogP of 2.14, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2-(2-ethylpiperidin-1-yl)pyrimidine-4-carboxamide is sourced from PubChem (CID 109295796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).