N-(2-ethylphenyl)-1-pyrimidin-2-ylpiperidine-3-carboxamide

C18H22N4O — CID 3221260

IUPACN-(2-ethylphenyl)-1-pyrimidin-2-ylpiperidine-3-carboxamide
SMILESCCc1ccccc1NC(=O)C1CCCN(c2ncccn2)C1
InChIInChI=1S/C18H22N4O/c1-2-14-7-3-4-9-16(14)21-17(23)15-8-5-12-22(13-15)18-19-10-6-11-20-18/h3-4,6-7,9-11,15H,2,5,8,12-13H2,1H3,(H,21,23)
InChIKeyJLOFCEWZFXCFQW-UHFFFAOYSA-N
MW310.40 g/mol
LogP2.89
Rot. Bonds4

About N-(2-ethylphenyl)-1-pyrimidin-2-ylpiperidine-3-carboxamide

N-(2-ethylphenyl)-1-pyrimidin-2-ylpiperidine-3-carboxamide (PubChem CID 3221260) has the molecular formula C18H22N4O and a molecular weight of 310.40 g/mol. Its IUPAC name is N-(2-ethylphenyl)-1-pyrimidin-2-ylpiperidine-3-carboxamide.

Molecular Properties

Compound NameN-(2-ethylphenyl)-1-pyrimidin-2-ylpiperidine-3-carboxamide
PubChem CID3221260
Molecular FormulaC18H22N4O
Molecular Weight310.40 g/mol
Exact Mass310.18
IUPAC NameN-(2-ethylphenyl)-1-pyrimidin-2-ylpiperidine-3-carboxamide
SMILESCCc1ccccc1NC(=O)C1CCCN(c2ncccn2)C1
InChIInChI=1S/C18H22N4O/c1-2-14-7-3-4-9-16(14)21-17(23)15-8-5-12-22(13-15)18-19-10-6-11-20-18/h3-4,6-7,9-11,15H,2,5,8,12-13H2,1H3,(H,21,23)
InChIKeyJLOFCEWZFXCFQW-UHFFFAOYSA-N
XLogP2.89
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.40
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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8-methyl-6-phenyl-2-(phenylamino)-7H,8H-pyrido[2,3-d]pyrimidin-7-one
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Pyrido[2,3-d]pyrimidin-7-one deriv. 26
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Frequently Asked Questions

What is the IUPAC name of N-(2-ethylphenyl)-1-pyrimidin-2-ylpiperidine-3-carboxamide?
The IUPAC name of N-(2-ethylphenyl)-1-pyrimidin-2-ylpiperidine-3-carboxamide (CID 3221260) is N-(2-ethylphenyl)-1-pyrimidin-2-ylpiperidine-3-carboxamide.
What is the SMILES notation for N-(2-ethylphenyl)-1-pyrimidin-2-ylpiperidine-3-carboxamide?
The canonical SMILES for N-(2-ethylphenyl)-1-pyrimidin-2-ylpiperidine-3-carboxamide is CCc1ccccc1NC(=O)C1CCCN(c2ncccn2)C1.
What is the InChIKey of N-(2-ethylphenyl)-1-pyrimidin-2-ylpiperidine-3-carboxamide?
The InChIKey is JLOFCEWZFXCFQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O/c1-2-14-7-3-4-9-16(14)21-17(23)15-8-5-12-22(13-15)18-19-10-6-11-20-18/h3-4,6-7,9-11,15H,2,5,8,12-13H2,1H3,(H,21,23).
What are the key properties of N-(2-ethylphenyl)-1-pyrimidin-2-ylpiperidine-3-carboxamide?
N-(2-ethylphenyl)-1-pyrimidin-2-ylpiperidine-3-carboxamide has a molecular weight of 310.40 g/mol, XLogP of 2.89, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethylphenyl)-1-pyrimidin-2-ylpiperidine-3-carboxamide is sourced from PubChem (CID 3221260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).