N-(3-cyanophenyl)-2-(2-ethylpiperidin-1-yl)pyrimidine-5-carboxamide

C19H21N5O — CID 109264308

IUPACN-(3-cyanophenyl)-2-(2-ethylpiperidin-1-yl)pyrimidine-5-carboxamide
SMILESCCC1CCCCN1c1ncc(C(=O)Nc2cccc(C#N)c2)cn1
InChIInChI=1S/C19H21N5O/c1-2-17-8-3-4-9-24(17)19-21-12-15(13-22-19)18(25)23-16-7-5-6-14(10-16)11-20/h5-7,10,12-13,17H,2-4,8-9H2,1H3,(H,23,25)
InChIKeyRKLISPQHMCHOBY-UHFFFAOYSA-N
MW335.41 g/mol
LogP3.37
Rot. Bonds4

About N-(3-cyanophenyl)-2-(2-ethylpiperidin-1-yl)pyrimidine-5-carboxamide

N-(3-cyanophenyl)-2-(2-ethylpiperidin-1-yl)pyrimidine-5-carboxamide (PubChem CID 109264308) has the molecular formula C19H21N5O and a molecular weight of 335.41 g/mol. Its IUPAC name is N-(3-cyanophenyl)-2-(2-ethylpiperidin-1-yl)pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-(3-cyanophenyl)-2-(2-ethylpiperidin-1-yl)pyrimidine-5-carboxamide
PubChem CID109264308
Molecular FormulaC19H21N5O
Molecular Weight335.41 g/mol
Exact Mass335.17
IUPAC NameN-(3-cyanophenyl)-2-(2-ethylpiperidin-1-yl)pyrimidine-5-carboxamide
SMILESCCC1CCCCN1c1ncc(C(=O)Nc2cccc(C#N)c2)cn1
InChIInChI=1S/C19H21N5O/c1-2-17-8-3-4-9-24(17)19-21-12-15(13-22-19)18(25)23-16-7-5-6-14(10-16)11-20/h5-7,10,12-13,17H,2-4,8-9H2,1H3,(H,23,25)
InChIKeyRKLISPQHMCHOBY-UHFFFAOYSA-N
XLogP3.37
TPSA81.91 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.41
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-ethylphenyl)-2-(2-ethylpiperidin-1-yl)pyrimidine-5-carboxamide
CID 109264239
N-(3-cyanophenyl)-2-(2-ethylpiperidine-1-carbonyl)pyridine-4-carboxamide
CID 109090269
N-(1,3-benzodioxol-5-yl)-2-(2-ethylpiperidin-1-yl)pyrimidine-5-carboxamide
CID 109264292
2-(2-ethylpiperidin-1-yl)-N-(2-fluorophenyl)pyrimidine-5-carboxamide
CID 109264249
N-(3-cyanophenyl)-2-(1-methylpiperidin-2-yl)acetamide
CID 110864817
N-(2,5-dimethylphenyl)-2-(2-ethylpiperidin-1-yl)pyrimidine-5-carboxamide
CID 109264233
N-cycloheptyl-2-(2-ethylpiperidin-1-yl)pyrimidine-5-carboxamide
CID 109263083
N-(2,5-dichlorophenyl)-2-(2-ethylpiperidin-1-yl)pyrimidine-5-carboxamide
CID 109264300
N-(3-chlorophenyl)-2-(2-ethylpiperidin-1-yl)pyrimidine-4-carboxamide
CID 109312492
[2-(2-ethylpiperidin-1-yl)pyrimidin-5-yl]-pyrrolidin-1-ylmethanone
CID 109249279
N-(3-cyanophenyl)-5-(cyclohexylamino)pyridine-3-carboxamide
CID 109226989
5-(2-ethylpiperidin-1-yl)-N-(3-fluorophenyl)pyrazine-2-carboxamide
CID 109288653

Frequently Asked Questions

What is the IUPAC name of N-(3-cyanophenyl)-2-(2-ethylpiperidin-1-yl)pyrimidine-5-carboxamide?
The IUPAC name of N-(3-cyanophenyl)-2-(2-ethylpiperidin-1-yl)pyrimidine-5-carboxamide (CID 109264308) is N-(3-cyanophenyl)-2-(2-ethylpiperidin-1-yl)pyrimidine-5-carboxamide.
What is the SMILES notation for N-(3-cyanophenyl)-2-(2-ethylpiperidin-1-yl)pyrimidine-5-carboxamide?
The canonical SMILES for N-(3-cyanophenyl)-2-(2-ethylpiperidin-1-yl)pyrimidine-5-carboxamide is CCC1CCCCN1c1ncc(C(=O)Nc2cccc(C#N)c2)cn1.
What is the InChIKey of N-(3-cyanophenyl)-2-(2-ethylpiperidin-1-yl)pyrimidine-5-carboxamide?
The InChIKey is RKLISPQHMCHOBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5O/c1-2-17-8-3-4-9-24(17)19-21-12-15(13-22-19)18(25)23-16-7-5-6-14(10-16)11-20/h5-7,10,12-13,17H,2-4,8-9H2,1H3,(H,23,25).
What are the key properties of N-(3-cyanophenyl)-2-(2-ethylpiperidin-1-yl)pyrimidine-5-carboxamide?
N-(3-cyanophenyl)-2-(2-ethylpiperidin-1-yl)pyrimidine-5-carboxamide has a molecular weight of 335.41 g/mol, XLogP of 3.37, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyanophenyl)-2-(2-ethylpiperidin-1-yl)pyrimidine-5-carboxamide is sourced from PubChem (CID 109264308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).