N-(2,3-dimethylphenyl)-2-(2-ethylpiperidin-1-yl)pyrimidine-4-carboxamide

C20H26N4O — CID 109312478

IUPACN-(2,3-dimethylphenyl)-2-(2-ethylpiperidin-1-yl)pyrimidine-4-carboxamide
SMILESCCC1CCCCN1c1nccc(C(=O)Nc2cccc(C)c2C)n1
InChIInChI=1S/C20H26N4O/c1-4-16-9-5-6-13-24(16)20-21-12-11-18(23-20)19(25)22-17-10-7-8-14(2)15(17)3/h7-8,10-12,16H,4-6,9,13H2,1-3H3,(H,22,25)
InChIKeyGAIYIIDYFKAWHT-UHFFFAOYSA-N
MW338.46 g/mol
LogP4.11
Rot. Bonds4

About N-(2,3-dimethylphenyl)-2-(2-ethylpiperidin-1-yl)pyrimidine-4-carboxamide

N-(2,3-dimethylphenyl)-2-(2-ethylpiperidin-1-yl)pyrimidine-4-carboxamide (PubChem CID 109312478) has the molecular formula C20H26N4O and a molecular weight of 338.46 g/mol. Its IUPAC name is N-(2,3-dimethylphenyl)-2-(2-ethylpiperidin-1-yl)pyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-(2,3-dimethylphenyl)-2-(2-ethylpiperidin-1-yl)pyrimidine-4-carboxamide
PubChem CID109312478
Molecular FormulaC20H26N4O
Molecular Weight338.46 g/mol
Exact Mass338.21
IUPAC NameN-(2,3-dimethylphenyl)-2-(2-ethylpiperidin-1-yl)pyrimidine-4-carboxamide
SMILESCCC1CCCCN1c1nccc(C(=O)Nc2cccc(C)c2C)n1
InChIInChI=1S/C20H26N4O/c1-4-16-9-5-6-13-24(16)20-21-12-11-18(23-20)19(25)22-17-10-7-8-14(2)15(17)3/h7-8,10-12,16H,4-6,9,13H2,1-3H3,(H,22,25)
InChIKeyGAIYIIDYFKAWHT-UHFFFAOYSA-N
XLogP4.11
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.46
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2,3-dichlorophenyl)-2-(2-ethylpiperidin-1-yl)pyrimidine-4-carboxamide
CID 109312543
N-(5-chloro-2-methylphenyl)-2-(2-ethylpiperidin-1-yl)pyrimidine-4-carboxamide
CID 109312495
N-(2-tert-butylphenyl)-2-(2-ethylpiperidin-1-yl)pyrimidine-4-carboxamide
CID 109312487
N-(3-chlorophenyl)-2-(2-ethylpiperidin-1-yl)pyrimidine-4-carboxamide
CID 109312492
2-(2-ethylpiperidin-1-yl)-N-(2-propan-2-yloxyphenyl)pyrimidine-4-carboxamide
CID 109312509
2-(2-ethylpiperidin-1-yl)-N-[(2-methylphenyl)methyl]pyrimidine-4-carboxamide
CID 109304082
N-cyclopropyl-2-(2-ethylpiperidin-1-yl)pyrimidine-4-carboxamide
CID 109295796
2-(2-ethylpiperidin-1-yl)pyrimidine-4-carboxylic acid
CID 107553615
N-(2,3-dimethylphenyl)-4-(2-ethylpiperidine-1-carbonyl)pyridine-2-carboxamide
CID 109090150
2-(2-ethylpiperidin-1-yl)-N-(4-piperidin-1-ylphenyl)pyrimidine-4-carboxamide
CID 109312527
2-(2-ethylpiperidin-1-yl)-N-[4-(trifluoromethyl)phenyl]pyrimidine-4-carboxamide
CID 109312516
6-(2-ethylpiperidin-1-yl)-N-(2-methylphenyl)pyrimidine-4-carboxamide
CID 109354878

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dimethylphenyl)-2-(2-ethylpiperidin-1-yl)pyrimidine-4-carboxamide?
The IUPAC name of N-(2,3-dimethylphenyl)-2-(2-ethylpiperidin-1-yl)pyrimidine-4-carboxamide (CID 109312478) is N-(2,3-dimethylphenyl)-2-(2-ethylpiperidin-1-yl)pyrimidine-4-carboxamide.
What is the SMILES notation for N-(2,3-dimethylphenyl)-2-(2-ethylpiperidin-1-yl)pyrimidine-4-carboxamide?
The canonical SMILES for N-(2,3-dimethylphenyl)-2-(2-ethylpiperidin-1-yl)pyrimidine-4-carboxamide is CCC1CCCCN1c1nccc(C(=O)Nc2cccc(C)c2C)n1.
What is the InChIKey of N-(2,3-dimethylphenyl)-2-(2-ethylpiperidin-1-yl)pyrimidine-4-carboxamide?
The InChIKey is GAIYIIDYFKAWHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O/c1-4-16-9-5-6-13-24(16)20-21-12-11-18(23-20)19(25)22-17-10-7-8-14(2)15(17)3/h7-8,10-12,16H,4-6,9,13H2,1-3H3,(H,22,25).
What are the key properties of N-(2,3-dimethylphenyl)-2-(2-ethylpiperidin-1-yl)pyrimidine-4-carboxamide?
N-(2,3-dimethylphenyl)-2-(2-ethylpiperidin-1-yl)pyrimidine-4-carboxamide has a molecular weight of 338.46 g/mol, XLogP of 4.11, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dimethylphenyl)-2-(2-ethylpiperidin-1-yl)pyrimidine-4-carboxamide is sourced from PubChem (CID 109312478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).