(2S,4S)-2-methyl-N-[(2-pyrazol-1-yl-3-pyridinyl)methyl]piperidine-4-carboxamide;hydrochloride

C16H22ClN5O — CID 120632730

IUPAC(2S,4S)-2-methyl-N-[(2-pyrazol-1-yl-3-pyridinyl)methyl]piperidine-4-carboxamide;hydrochloride
SMILESC[C@H]1C[C@@H](C(=O)NCc2cccnc2-n2cccn2)CCN1.Cl
InChIInChI=1S/C16H21N5O.ClH/c1-12-10-13(5-8-17-12)16(22)19-11-14-4-2-6-18-15(14)21-9-3-7-20-21;/h2-4,6-7,9,12-13,17H,5,8,10-11H2,1H3,(H,19,22);1H/t12-,13-;/m0./s1
InChIKeyVIHCUZAPTKABTB-QNTKWALQSA-N
MW335.84 g/mol
LogP1.69
Rot. Bonds4

About (2S,4S)-2-methyl-N-[(2-pyrazol-1-yl-3-pyridinyl)methyl]piperidine-4-carboxamide;hydrochloride

(2S,4S)-2-methyl-N-[(2-pyrazol-1-yl-3-pyridinyl)methyl]piperidine-4-carboxamide;hydrochloride (PubChem CID 120632730) 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-3-pyridinyl)methyl]piperidine-4-carboxamide;hydrochloride.

Molecular Properties

Compound Name(2S,4S)-2-methyl-N-[(2-pyrazol-1-yl-3-pyridinyl)methyl]piperidine-4-carboxamide;hydrochloride
PubChem CID120632730
Molecular FormulaC16H22ClN5O
Molecular Weight335.84 g/mol
Exact Mass335.15
IUPAC Name(2S,4S)-2-methyl-N-[(2-pyrazol-1-yl-3-pyridinyl)methyl]piperidine-4-carboxamide;hydrochloride
SMILESC[C@H]1C[C@@H](C(=O)NCc2cccnc2-n2cccn2)CCN1.Cl
InChIInChI=1S/C16H21N5O.ClH/c1-12-10-13(5-8-17-12)16(22)19-11-14-4-2-6-18-15(14)21-9-3-7-20-21;/h2-4,6-7,9,12-13,17H,5,8,10-11H2,1H3,(H,19,22);1H/t12-,13-;/m0./s1
InChIKeyVIHCUZAPTKABTB-QNTKWALQSA-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

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Related Compounds

(2S,4S)-2-methyl-N-[(2-pyrazol-1-yl-3-pyridinyl)methyl]piperidine-4-carboxamide
CID 120632731
N-[(2-pyrazol-1-yl-3-pyridinyl)methyl]cyclopropanecarboxamide
CID 31968520
(2S,4S)-2-methyl-N-[(2-pyrazol-1-yl-4-pyridinyl)methyl]piperidine-4-carboxamide;hydrochloride
CID 120632675
(2S,4S)-N-benzyl-2-methylpiperidine-4-carboxamide
CID 120616011
N-benzyl-2-methylpiperidine-4-carboxamide
CID 106738530
5-propan-2-yl-N-[(2-pyrazol-1-yl-3-pyridinyl)methyl]pyrazolidine-3-carboxamide
CID 52986650
(2S,4S)-N-[(2-fluorophenyl)methyl]-2-methylpiperidine-4-carboxamide
CID 120617128
(2S,4S)-2-methyl-N-[[1-(3-phenylpropyl)imidazol-2-yl]methyl]piperidine-4-carboxamide
CID 120638608
(2S,4S)-N-[(1-benzyl-3-phenylpyrazol-4-yl)methyl]-2-methylpiperidine-4-carboxamide;hydrochloride
CID 120619392
(2S,4S)-2-methyl-N-[(2-phenylsulfanylphenyl)methyl]piperidine-4-carboxamide;hydrochloride
CID 120631432
(2S,3R)-2-methyl-N-[(2-pyrazol-1-yl-3-pyridinyl)methyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 38431207
3-piperidin-4-yl-N-[(2-pyrazol-1-yl-3-pyridinyl)methyl]butanamide;hydrochloride
CID 122084280

Frequently Asked Questions

What is the IUPAC name of (2S,4S)-2-methyl-N-[(2-pyrazol-1-yl-3-pyridinyl)methyl]piperidine-4-carboxamide;hydrochloride?
The IUPAC name of (2S,4S)-2-methyl-N-[(2-pyrazol-1-yl-3-pyridinyl)methyl]piperidine-4-carboxamide;hydrochloride (CID 120632730) is (2S,4S)-2-methyl-N-[(2-pyrazol-1-yl-3-pyridinyl)methyl]piperidine-4-carboxamide;hydrochloride.
What is the SMILES notation for (2S,4S)-2-methyl-N-[(2-pyrazol-1-yl-3-pyridinyl)methyl]piperidine-4-carboxamide;hydrochloride?
The canonical SMILES for (2S,4S)-2-methyl-N-[(2-pyrazol-1-yl-3-pyridinyl)methyl]piperidine-4-carboxamide;hydrochloride is C[C@H]1C[C@@H](C(=O)NCc2cccnc2-n2cccn2)CCN1.Cl.
What is the InChIKey of (2S,4S)-2-methyl-N-[(2-pyrazol-1-yl-3-pyridinyl)methyl]piperidine-4-carboxamide;hydrochloride?
The InChIKey is VIHCUZAPTKABTB-QNTKWALQSA-N. The full InChI is InChI=1S/C16H21N5O.ClH/c1-12-10-13(5-8-17-12)16(22)19-11-14-4-2-6-18-15(14)21-9-3-7-20-21;/h2-4,6-7,9,12-13,17H,5,8,10-11H2,1H3,(H,19,22);1H/t12-,13-;/m0./s1.
What are the key properties of (2S,4S)-2-methyl-N-[(2-pyrazol-1-yl-3-pyridinyl)methyl]piperidine-4-carboxamide;hydrochloride?
(2S,4S)-2-methyl-N-[(2-pyrazol-1-yl-3-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-3-pyridinyl)methyl]piperidine-4-carboxamide;hydrochloride is sourced from PubChem (CID 120632730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).