(2S,4S)-2-methyl-N-[(2-pyrazol-1-yl-4-pyridinyl)methyl]piperidine-4-carboxamide;hydrochloride

C16H22ClN5O — CID 120632675

IUPAC(2S,4S)-2-methyl-N-[(2-pyrazol-1-yl-4-pyridinyl)methyl]piperidine-4-carboxamide;hydrochloride
SMILESC[C@H]1C[C@@H](C(=O)NCc2ccnc(-n3cccn3)c2)CCN1.Cl
InChIInChI=1S/C16H21N5O.ClH/c1-12-9-14(4-7-17-12)16(22)19-11-13-3-6-18-15(10-13)21-8-2-5-20-21;/h2-3,5-6,8,10,12,14,17H,4,7,9,11H2,1H3,(H,19,22);1H/t12-,14-;/m0./s1
InChIKeyPMROMVIHFLCFPU-KYSPHBLOSA-N
MW335.84 g/mol
LogP1.69
Rot. Bonds4

About (2S,4S)-2-methyl-N-[(2-pyrazol-1-yl-4-pyridinyl)methyl]piperidine-4-carboxamide;hydrochloride

(2S,4S)-2-methyl-N-[(2-pyrazol-1-yl-4-pyridinyl)methyl]piperidine-4-carboxamide;hydrochloride (PubChem CID 120632675) has the molecular formula C16H22ClN5O and a molecular weight of 335.84 g/mol. Its IUPAC name is (2S,4S)-2-methyl-N-[(2-pyrazol-1-yl-4-pyridinyl)methyl]piperidine-4-carboxamide;hydrochloride.

Molecular Properties

Compound Name(2S,4S)-2-methyl-N-[(2-pyrazol-1-yl-4-pyridinyl)methyl]piperidine-4-carboxamide;hydrochloride
PubChem CID120632675
Molecular FormulaC16H22ClN5O
Molecular Weight335.84 g/mol
Exact Mass335.15
IUPAC Name(2S,4S)-2-methyl-N-[(2-pyrazol-1-yl-4-pyridinyl)methyl]piperidine-4-carboxamide;hydrochloride
SMILESC[C@H]1C[C@@H](C(=O)NCc2ccnc(-n3cccn3)c2)CCN1.Cl
InChIInChI=1S/C16H21N5O.ClH/c1-12-9-14(4-7-17-12)16(22)19-11-13-3-6-18-15(10-13)21-8-2-5-20-21;/h2-3,5-6,8,10,12,14,17H,4,7,9,11H2,1H3,(H,19,22);1H/t12-,14-;/m0./s1
InChIKeyPMROMVIHFLCFPU-KYSPHBLOSA-N
XLogP1.69
TPSA71.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.84
LogP ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze (2S,4S)-2-methyl-N-[(2-pyrazol-1-yl-4-pyridinyl)methyl]piperidine-4-carboxamide;hydrochloride with MolForge

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Related Compounds

3-amino-N-[(2-pyrazol-1-yl-4-pyridinyl)methyl]cyclohexane-1-carboxamide;dihydrochloride
CID 119846913
(2S,4S)-2-methyl-N-[(2-pyrazol-1-yl-3-pyridinyl)methyl]piperidine-4-carboxamide;hydrochloride
CID 120632730
(2S,4S)-2-methyl-N-[(2-pyrazol-1-yl-3-pyridinyl)methyl]piperidine-4-carboxamide
CID 120632731
N-[(2-methoxy-4-pyridinyl)methyl]-2-methylpiperidine-4-carboxamide
CID 106739998
(3S,5S)-3,5-dimethyl-N-[(2-pyrazol-1-yl-4-pyridinyl)methyl]piperidine-1-carboxamide
CID 94030798
(3S)-1-methylsulfonyl-N-[(2-pyrazol-1-yl-4-pyridinyl)methyl]piperidine-3-carboxamide
CID 51943461
(2S,4S)-N-benzyl-2-methylpiperidine-4-carboxamide
CID 120616011
N-benzyl-2-methylpiperidine-4-carboxamide
CID 106738530
N-[(2-pyrazol-1-yl-4-pyridinyl)methyl]morpholine-2-carboxamide;dihydrochloride
CID 119846941
(2S,4S)-2-methyl-N-[[2-(4-methylcyclohexyl)oxy-4-pyridinyl]methyl]piperidine-4-carboxamide;hydrochloride
CID 120636780
1-cyclopentyl-5-oxo-N-[(2-pyrazol-1-yl-4-pyridinyl)methyl]pyrrolidine-3-carboxamide
CID 55636175
N-[(2-pyrazol-1-yl-4-pyridinyl)methyl]-2-pyrrolidin-2-ylacetamide
CID 119846944

Frequently Asked Questions

What is the IUPAC name of (2S,4S)-2-methyl-N-[(2-pyrazol-1-yl-4-pyridinyl)methyl]piperidine-4-carboxamide;hydrochloride?
The IUPAC name of (2S,4S)-2-methyl-N-[(2-pyrazol-1-yl-4-pyridinyl)methyl]piperidine-4-carboxamide;hydrochloride (CID 120632675) is (2S,4S)-2-methyl-N-[(2-pyrazol-1-yl-4-pyridinyl)methyl]piperidine-4-carboxamide;hydrochloride.
What is the SMILES notation for (2S,4S)-2-methyl-N-[(2-pyrazol-1-yl-4-pyridinyl)methyl]piperidine-4-carboxamide;hydrochloride?
The canonical SMILES for (2S,4S)-2-methyl-N-[(2-pyrazol-1-yl-4-pyridinyl)methyl]piperidine-4-carboxamide;hydrochloride is C[C@H]1C[C@@H](C(=O)NCc2ccnc(-n3cccn3)c2)CCN1.Cl.
What is the InChIKey of (2S,4S)-2-methyl-N-[(2-pyrazol-1-yl-4-pyridinyl)methyl]piperidine-4-carboxamide;hydrochloride?
The InChIKey is PMROMVIHFLCFPU-KYSPHBLOSA-N. The full InChI is InChI=1S/C16H21N5O.ClH/c1-12-9-14(4-7-17-12)16(22)19-11-13-3-6-18-15(10-13)21-8-2-5-20-21;/h2-3,5-6,8,10,12,14,17H,4,7,9,11H2,1H3,(H,19,22);1H/t12-,14-;/m0./s1.
What are the key properties of (2S,4S)-2-methyl-N-[(2-pyrazol-1-yl-4-pyridinyl)methyl]piperidine-4-carboxamide;hydrochloride?
(2S,4S)-2-methyl-N-[(2-pyrazol-1-yl-4-pyridinyl)methyl]piperidine-4-carboxamide;hydrochloride has a molecular weight of 335.84 g/mol, XLogP of 1.69, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4S)-2-methyl-N-[(2-pyrazol-1-yl-4-pyridinyl)methyl]piperidine-4-carboxamide;hydrochloride is sourced from PubChem (CID 120632675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).