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

C18H21ClN4O — CID 109312492

IUPACN-(3-chlorophenyl)-2-(2-ethylpiperidin-1-yl)pyrimidine-4-carboxamide
SMILESCCC1CCCCN1c1nccc(C(=O)Nc2cccc(Cl)c2)n1
InChIInChI=1S/C18H21ClN4O/c1-2-15-8-3-4-11-23(15)18-20-10-9-16(22-18)17(24)21-14-7-5-6-13(19)12-14/h5-7,9-10,12,15H,2-4,8,11H2,1H3,(H,21,24)
InChIKeyPXIHUTGXFZHMRQ-UHFFFAOYSA-N
MW344.85 g/mol
LogP4.15
Rot. Bonds4

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

N-(3-chlorophenyl)-2-(2-ethylpiperidin-1-yl)pyrimidine-4-carboxamide (PubChem CID 109312492) has the molecular formula C18H21ClN4O and a molecular weight of 344.85 g/mol. Its IUPAC name is N-(3-chlorophenyl)-2-(2-ethylpiperidin-1-yl)pyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-(3-chlorophenyl)-2-(2-ethylpiperidin-1-yl)pyrimidine-4-carboxamide
PubChem CID109312492
Molecular FormulaC18H21ClN4O
Molecular Weight344.85 g/mol
Exact Mass344.14
IUPAC NameN-(3-chlorophenyl)-2-(2-ethylpiperidin-1-yl)pyrimidine-4-carboxamide
SMILESCCC1CCCCN1c1nccc(C(=O)Nc2cccc(Cl)c2)n1
InChIInChI=1S/C18H21ClN4O/c1-2-15-8-3-4-11-23(15)18-20-10-9-16(22-18)17(24)21-14-7-5-6-13(19)12-14/h5-7,9-10,12,15H,2-4,8,11H2,1H3,(H,21,24)
InChIKeyPXIHUTGXFZHMRQ-UHFFFAOYSA-N
XLogP4.15
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.85
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(5-chloro-2-methylphenyl)-2-(2-ethylpiperidin-1-yl)pyrimidine-4-carboxamide
CID 109312495
N-(2,3-dichlorophenyl)-2-(2-ethylpiperidin-1-yl)pyrimidine-4-carboxamide
CID 109312543
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
N-(2,3-dimethylphenyl)-2-(2-ethylpiperidin-1-yl)pyrimidine-4-carboxamide
CID 109312478
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-tert-butylphenyl)-2-(2-ethylpiperidin-1-yl)pyrimidine-4-carboxamide
CID 109312487
2-(2-ethylpiperidin-1-yl)-N-(2-propan-2-yloxyphenyl)pyrimidine-4-carboxamide
CID 109312509
N-[2-(3-chlorophenyl)ethyl]-2-(2-ethylpiperidin-1-yl)pyrimidin-4-amine
CID 112900935
2-(2-ethylpiperidin-1-yl)-N-[(2-methylphenyl)methyl]pyrimidine-4-carboxamide
CID 109304082
N-(2,6-dichlorophenyl)-2-(2-ethylpiperidin-1-yl)-6-methylpyrimidine-4-carboxamide
CID 109333831

Frequently Asked Questions

What is the IUPAC name of N-(3-chlorophenyl)-2-(2-ethylpiperidin-1-yl)pyrimidine-4-carboxamide?
The IUPAC name of N-(3-chlorophenyl)-2-(2-ethylpiperidin-1-yl)pyrimidine-4-carboxamide (CID 109312492) is N-(3-chlorophenyl)-2-(2-ethylpiperidin-1-yl)pyrimidine-4-carboxamide.
What is the SMILES notation for N-(3-chlorophenyl)-2-(2-ethylpiperidin-1-yl)pyrimidine-4-carboxamide?
The canonical SMILES for N-(3-chlorophenyl)-2-(2-ethylpiperidin-1-yl)pyrimidine-4-carboxamide is CCC1CCCCN1c1nccc(C(=O)Nc2cccc(Cl)c2)n1.
What is the InChIKey of N-(3-chlorophenyl)-2-(2-ethylpiperidin-1-yl)pyrimidine-4-carboxamide?
The InChIKey is PXIHUTGXFZHMRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21ClN4O/c1-2-15-8-3-4-11-23(15)18-20-10-9-16(22-18)17(24)21-14-7-5-6-13(19)12-14/h5-7,9-10,12,15H,2-4,8,11H2,1H3,(H,21,24).
What are the key properties of N-(3-chlorophenyl)-2-(2-ethylpiperidin-1-yl)pyrimidine-4-carboxamide?
N-(3-chlorophenyl)-2-(2-ethylpiperidin-1-yl)pyrimidine-4-carboxamide has a molecular weight of 344.85 g/mol, XLogP of 4.15, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chlorophenyl)-2-(2-ethylpiperidin-1-yl)pyrimidine-4-carboxamide is sourced from PubChem (CID 109312492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).