N-[3-(2-methylpyrimidin-4-yl)phenyl]piperidine-2-carboxamide;hydrochloride

C17H21ClN4O — CID 119280479

IUPACN-[3-(2-methylpyrimidin-4-yl)phenyl]piperidine-2-carboxamide;hydrochloride
SMILESCc1nccc(-c2cccc(NC(=O)C3CCCCN3)c2)n1.Cl
InChIInChI=1S/C17H20N4O.ClH/c1-12-18-10-8-15(20-12)13-5-4-6-14(11-13)21-17(22)16-7-2-3-9-19-16;/h4-6,8,10-11,16,19H,2-3,7,9H2,1H3,(H,21,22);1H
InChIKeyBTMLOBCCJLMODR-UHFFFAOYSA-N
MW332.84 g/mol
LogP2.95
Rot. Bonds3

About N-[3-(2-methylpyrimidin-4-yl)phenyl]piperidine-2-carboxamide;hydrochloride

N-[3-(2-methylpyrimidin-4-yl)phenyl]piperidine-2-carboxamide;hydrochloride (PubChem CID 119280479) has the molecular formula C17H21ClN4O and a molecular weight of 332.84 g/mol. Its IUPAC name is N-[3-(2-methylpyrimidin-4-yl)phenyl]piperidine-2-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[3-(2-methylpyrimidin-4-yl)phenyl]piperidine-2-carboxamide;hydrochloride
PubChem CID119280479
Molecular FormulaC17H21ClN4O
Molecular Weight332.84 g/mol
Exact Mass332.14
IUPAC NameN-[3-(2-methylpyrimidin-4-yl)phenyl]piperidine-2-carboxamide;hydrochloride
SMILESCc1nccc(-c2cccc(NC(=O)C3CCCCN3)c2)n1.Cl
InChIInChI=1S/C17H20N4O.ClH/c1-12-18-10-8-15(20-12)13-5-4-6-14(11-13)21-17(22)16-7-2-3-9-19-16;/h4-6,8,10-11,16,19H,2-3,7,9H2,1H3,(H,21,22);1H
InChIKeyBTMLOBCCJLMODR-UHFFFAOYSA-N
XLogP2.95
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.84
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-(2-methylpyrimidin-4-yl)phenyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide
CID 119280482
N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]pyrrolidine-2-carboxamide;hydrochloride
CID 119270940
(2S)-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]pyrrolidine-2-carboxamide;hydrochloride
CID 119270942
(2R)-N-[3-(1,3-thiazol-2-yl)phenyl]piperidine-2-carboxamide;hydrochloride
CID 119399855
N-[3-(4-methyl-1,3-oxazol-2-yl)phenyl]piperidine-2-carboxamide;hydrochloride
CID 119337937
N-[3-(4-methyl-1,2,4-triazol-3-yl)phenyl]piperidine-2-carboxamide;hydrochloride
CID 119293654
N-[3-(1H-pyrazol-5-yl)phenyl]azepane-2-carboxamide
CID 64563413
2-[[3-(2-methylpyrimidin-4-yl)phenyl]carbamoyl]cyclopropane-1-carboxylic acid
CID 119180289
9-amino-N-[3-(2-methylpyrimidin-4-yl)phenyl]bicyclo[3.3.1]nonane-3-carboxamide
CID 120985661
N-[3-(2H-tetrazol-5-yl)phenyl]piperidine-2-carboxamide
CID 43712968
N-[(1R,2S)-2-methylcyclohexyl]-N'-[3-(2-methylpyrimidin-4-yl)phenyl]oxamide
CID 94193234
N-(2-phenyl-4-pyridinyl)pyrrolidine-2-carboxamide
CID 119877635

Frequently Asked Questions

What is the IUPAC name of N-[3-(2-methylpyrimidin-4-yl)phenyl]piperidine-2-carboxamide;hydrochloride?
The IUPAC name of N-[3-(2-methylpyrimidin-4-yl)phenyl]piperidine-2-carboxamide;hydrochloride (CID 119280479) is N-[3-(2-methylpyrimidin-4-yl)phenyl]piperidine-2-carboxamide;hydrochloride.
What is the SMILES notation for N-[3-(2-methylpyrimidin-4-yl)phenyl]piperidine-2-carboxamide;hydrochloride?
The canonical SMILES for N-[3-(2-methylpyrimidin-4-yl)phenyl]piperidine-2-carboxamide;hydrochloride is Cc1nccc(-c2cccc(NC(=O)C3CCCCN3)c2)n1.Cl.
What is the InChIKey of N-[3-(2-methylpyrimidin-4-yl)phenyl]piperidine-2-carboxamide;hydrochloride?
The InChIKey is BTMLOBCCJLMODR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O.ClH/c1-12-18-10-8-15(20-12)13-5-4-6-14(11-13)21-17(22)16-7-2-3-9-19-16;/h4-6,8,10-11,16,19H,2-3,7,9H2,1H3,(H,21,22);1H.
What are the key properties of N-[3-(2-methylpyrimidin-4-yl)phenyl]piperidine-2-carboxamide;hydrochloride?
N-[3-(2-methylpyrimidin-4-yl)phenyl]piperidine-2-carboxamide;hydrochloride has a molecular weight of 332.84 g/mol, XLogP of 2.95, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-methylpyrimidin-4-yl)phenyl]piperidine-2-carboxamide;hydrochloride is sourced from PubChem (CID 119280479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).