N-cycloheptyl-2-(2-ethylpiperidin-1-yl)pyrimidine-5-carboxamide

C19H30N4O — CID 109263083

IUPACN-cycloheptyl-2-(2-ethylpiperidin-1-yl)pyrimidine-5-carboxamide
SMILESCCC1CCCCN1c1ncc(C(=O)NC2CCCCCC2)cn1
InChIInChI=1S/C19H30N4O/c1-2-17-11-7-8-12-23(17)19-20-13-15(14-21-19)18(24)22-16-9-5-3-4-6-10-16/h13-14,16-17H,2-12H2,1H3,(H,22,24)
InChIKeyXUJPFNHGUDEYTG-UHFFFAOYSA-N
MW330.48 g/mol
LogP3.70
Rot. Bonds4

About N-cycloheptyl-2-(2-ethylpiperidin-1-yl)pyrimidine-5-carboxamide

N-cycloheptyl-2-(2-ethylpiperidin-1-yl)pyrimidine-5-carboxamide (PubChem CID 109263083) has the molecular formula C19H30N4O and a molecular weight of 330.48 g/mol. Its IUPAC name is N-cycloheptyl-2-(2-ethylpiperidin-1-yl)pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-cycloheptyl-2-(2-ethylpiperidin-1-yl)pyrimidine-5-carboxamide
PubChem CID109263083
Molecular FormulaC19H30N4O
Molecular Weight330.48 g/mol
Exact Mass330.24
IUPAC NameN-cycloheptyl-2-(2-ethylpiperidin-1-yl)pyrimidine-5-carboxamide
SMILESCCC1CCCCN1c1ncc(C(=O)NC2CCCCCC2)cn1
InChIInChI=1S/C19H30N4O/c1-2-17-11-7-8-12-23(17)19-20-13-15(14-21-19)18(24)22-16-9-5-3-4-6-10-16/h13-14,16-17H,2-12H2,1H3,(H,22,24)
InChIKeyXUJPFNHGUDEYTG-UHFFFAOYSA-N
XLogP3.70
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.48
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(2-ethylpiperidin-1-yl)pyrimidin-5-yl]-pyrrolidin-1-ylmethanone
CID 109249279
N-cyclopentyl-5-(2-ethylpiperidin-1-yl)pyridine-3-carboxamide
CID 109225954
N-(4-ethylphenyl)-2-(2-ethylpiperidin-1-yl)pyrimidine-5-carboxamide
CID 109264239
N-(2,5-dimethylphenyl)-2-(2-ethylpiperidin-1-yl)pyrimidine-5-carboxamide
CID 109264233
2-(2-ethylpiperidin-1-yl)-N-[2-(4-fluorophenyl)ethyl]pyrimidine-5-carboxamide
CID 109260032
N-cyclohexyl-5-(2-ethylpiperidin-1-yl)pyrazine-2-carboxamide
CID 109274707
2-(2-ethylpiperidin-1-yl)-N-(2-fluorophenyl)pyrimidine-5-carboxamide
CID 109264249
N-cyclopropyl-2-(2-ethylpiperidin-1-yl)pyrimidine-4-carboxamide
CID 109295796
N-(2,5-dichlorophenyl)-2-(2-ethylpiperidin-1-yl)pyrimidine-5-carboxamide
CID 109264300
N-(1,3-benzodioxol-5-yl)-2-(2-ethylpiperidin-1-yl)pyrimidine-5-carboxamide
CID 109264292
5-chloro-6-(2-ethylazepan-1-yl)pyridine-3-carboxylic acid
CID 104690120
N-cycloheptyl-2-(4-methylpiperidin-1-yl)pyrimidine-5-carboxamide
CID 109250891

Frequently Asked Questions

What is the IUPAC name of N-cycloheptyl-2-(2-ethylpiperidin-1-yl)pyrimidine-5-carboxamide?
The IUPAC name of N-cycloheptyl-2-(2-ethylpiperidin-1-yl)pyrimidine-5-carboxamide (CID 109263083) is N-cycloheptyl-2-(2-ethylpiperidin-1-yl)pyrimidine-5-carboxamide.
What is the SMILES notation for N-cycloheptyl-2-(2-ethylpiperidin-1-yl)pyrimidine-5-carboxamide?
The canonical SMILES for N-cycloheptyl-2-(2-ethylpiperidin-1-yl)pyrimidine-5-carboxamide is CCC1CCCCN1c1ncc(C(=O)NC2CCCCCC2)cn1.
What is the InChIKey of N-cycloheptyl-2-(2-ethylpiperidin-1-yl)pyrimidine-5-carboxamide?
The InChIKey is XUJPFNHGUDEYTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N4O/c1-2-17-11-7-8-12-23(17)19-20-13-15(14-21-19)18(24)22-16-9-5-3-4-6-10-16/h13-14,16-17H,2-12H2,1H3,(H,22,24).
What are the key properties of N-cycloheptyl-2-(2-ethylpiperidin-1-yl)pyrimidine-5-carboxamide?
N-cycloheptyl-2-(2-ethylpiperidin-1-yl)pyrimidine-5-carboxamide has a molecular weight of 330.48 g/mol, XLogP of 3.70, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cycloheptyl-2-(2-ethylpiperidin-1-yl)pyrimidine-5-carboxamide is sourced from PubChem (CID 109263083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).