2-(2-ethylpiperidin-1-yl)-N-(2-propan-2-yloxyphenyl)pyrimidine-4-carboxamide

C21H28N4O2 — CID 109312509

IUPAC2-(2-ethylpiperidin-1-yl)-N-(2-propan-2-yloxyphenyl)pyrimidine-4-carboxamide
SMILESCCC1CCCCN1c1nccc(C(=O)Nc2ccccc2OC(C)C)n1
InChIInChI=1S/C21H28N4O2/c1-4-16-9-7-8-14-25(16)21-22-13-12-18(24-21)20(26)23-17-10-5-6-11-19(17)27-15(2)3/h5-6,10-13,15-16H,4,7-9,14H2,1-3H3,(H,23,26)
InChIKeyGHKYZQCXXRPHMA-UHFFFAOYSA-N
MW368.48 g/mol
LogP4.28
Rot. Bonds6

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

2-(2-ethylpiperidin-1-yl)-N-(2-propan-2-yloxyphenyl)pyrimidine-4-carboxamide (PubChem CID 109312509) has the molecular formula C21H28N4O2 and a molecular weight of 368.48 g/mol. Its IUPAC name is 2-(2-ethylpiperidin-1-yl)-N-(2-propan-2-yloxyphenyl)pyrimidine-4-carboxamide.

Molecular Properties

Compound Name2-(2-ethylpiperidin-1-yl)-N-(2-propan-2-yloxyphenyl)pyrimidine-4-carboxamide
PubChem CID109312509
Molecular FormulaC21H28N4O2
Molecular Weight368.48 g/mol
Exact Mass368.22
IUPAC Name2-(2-ethylpiperidin-1-yl)-N-(2-propan-2-yloxyphenyl)pyrimidine-4-carboxamide
SMILESCCC1CCCCN1c1nccc(C(=O)Nc2ccccc2OC(C)C)n1
InChIInChI=1S/C21H28N4O2/c1-4-16-9-7-8-14-25(16)21-22-13-12-18(24-21)20(26)23-17-10-5-6-11-19(17)27-15(2)3/h5-6,10-13,15-16H,4,7-9,14H2,1-3H3,(H,23,26)
InChIKeyGHKYZQCXXRPHMA-UHFFFAOYSA-N
XLogP4.28
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.48
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-tert-butylphenyl)-2-(2-ethylpiperidin-1-yl)pyrimidine-4-carboxamide
CID 109312487
N-(2,3-dichlorophenyl)-2-(2-ethylpiperidin-1-yl)pyrimidine-4-carboxamide
CID 109312543
N-(2,3-dimethylphenyl)-2-(2-ethylpiperidin-1-yl)pyrimidine-4-carboxamide
CID 109312478
N-(3-chlorophenyl)-2-(2-ethylpiperidin-1-yl)pyrimidine-4-carboxamide
CID 109312492
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-cyclopropyl-2-(2-ethylpiperidin-1-yl)pyrimidine-4-carboxamide
CID 109295796
2-(2-ethylpiperidin-1-yl)-N-[4-(trifluoromethyl)phenyl]pyrimidine-4-carboxamide
CID 109312516
2-(2-ethylpiperidin-1-yl)pyrimidine-4-carboxylic acid
CID 107553615
2-ethyl-N-(2-propan-2-yloxyphenyl)piperidine-1-carboxamide
CID 108990892
2-(2-ethylpiperidin-1-yl)-N-[(2-methylphenyl)methyl]pyrimidine-4-carboxamide
CID 109304082
5-(2-ethylpiperidin-1-yl)-N-(2-methoxyphenyl)pyrazine-2-carboxamide
CID 109288627

Frequently Asked Questions

What is the IUPAC name of 2-(2-ethylpiperidin-1-yl)-N-(2-propan-2-yloxyphenyl)pyrimidine-4-carboxamide?
The IUPAC name of 2-(2-ethylpiperidin-1-yl)-N-(2-propan-2-yloxyphenyl)pyrimidine-4-carboxamide (CID 109312509) is 2-(2-ethylpiperidin-1-yl)-N-(2-propan-2-yloxyphenyl)pyrimidine-4-carboxamide.
What is the SMILES notation for 2-(2-ethylpiperidin-1-yl)-N-(2-propan-2-yloxyphenyl)pyrimidine-4-carboxamide?
The canonical SMILES for 2-(2-ethylpiperidin-1-yl)-N-(2-propan-2-yloxyphenyl)pyrimidine-4-carboxamide is CCC1CCCCN1c1nccc(C(=O)Nc2ccccc2OC(C)C)n1.
What is the InChIKey of 2-(2-ethylpiperidin-1-yl)-N-(2-propan-2-yloxyphenyl)pyrimidine-4-carboxamide?
The InChIKey is GHKYZQCXXRPHMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N4O2/c1-4-16-9-7-8-14-25(16)21-22-13-12-18(24-21)20(26)23-17-10-5-6-11-19(17)27-15(2)3/h5-6,10-13,15-16H,4,7-9,14H2,1-3H3,(H,23,26).
What are the key properties of 2-(2-ethylpiperidin-1-yl)-N-(2-propan-2-yloxyphenyl)pyrimidine-4-carboxamide?
2-(2-ethylpiperidin-1-yl)-N-(2-propan-2-yloxyphenyl)pyrimidine-4-carboxamide has a molecular weight of 368.48 g/mol, XLogP of 4.28, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethylpiperidin-1-yl)-N-(2-propan-2-yloxyphenyl)pyrimidine-4-carboxamide is sourced from PubChem (CID 109312509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).