(2S,4S)-N-[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]-2-methylpiperidine-4-carboxamide;hydrochloride

C17H24ClN5O — CID 120632728

IUPAC(2S,4S)-N-[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]-2-methylpiperidine-4-carboxamide;hydrochloride
SMILESCc1cc(C)n(-c2ccc(NC(=O)[C@H]3CCN[C@@H](C)C3)cn2)n1.Cl
InChIInChI=1S/C17H23N5O.ClH/c1-11-9-14(6-7-18-11)17(23)20-15-4-5-16(19-10-15)22-13(3)8-12(2)21-22;/h4-5,8,10-11,14,18H,6-7,9H2,1-3H3,(H,20,23);1H/t11-,14-;/m0./s1
InChIKeyIMPGRALVLHEDMR-XCBLFTOQSA-N
MW349.87 g/mol
LogP2.63
Rot. Bonds3

About (2S,4S)-N-[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]-2-methylpiperidine-4-carboxamide;hydrochloride

(2S,4S)-N-[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]-2-methylpiperidine-4-carboxamide;hydrochloride (PubChem CID 120632728) has the molecular formula C17H24ClN5O and a molecular weight of 349.87 g/mol. Its IUPAC name is (2S,4S)-N-[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]-2-methylpiperidine-4-carboxamide;hydrochloride.

Molecular Properties

Compound Name(2S,4S)-N-[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]-2-methylpiperidine-4-carboxamide;hydrochloride
PubChem CID120632728
Molecular FormulaC17H24ClN5O
Molecular Weight349.87 g/mol
Exact Mass349.17
IUPAC Name(2S,4S)-N-[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]-2-methylpiperidine-4-carboxamide;hydrochloride
SMILESCc1cc(C)n(-c2ccc(NC(=O)[C@H]3CCN[C@@H](C)C3)cn2)n1.Cl
InChIInChI=1S/C17H23N5O.ClH/c1-11-9-14(6-7-18-11)17(23)20-15-4-5-16(19-10-15)22-13(3)8-12(2)21-22;/h4-5,8,10-11,14,18H,6-7,9H2,1-3H3,(H,20,23);1H/t11-,14-;/m0./s1
InChIKeyIMPGRALVLHEDMR-XCBLFTOQSA-N
XLogP2.63
TPSA71.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.87
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(2S,4S)-2-methyl-N-(6-pyrrolidin-1-yl-3-pyridinyl)piperidine-4-carboxamide
CID 120632060
cis-(1R,2S)-2-[[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]carbamoyl]cyclopropane-1-carboxylic acid
CID 124623368
(3R)-N-[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]-1-methyl-5-oxopyrrolidine-3-carboxamide
CID 38418613
(3S)-N-[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]-1-ethyl-5-oxopyrrolidine-3-carboxamide
CID 38418637
(2S,4S)-N-[4-(cyclopropanecarbonylamino)phenyl]-2-methylpiperidine-4-carboxamide;hydrochloride
CID 120619530
6-(3,5-dimethylpyrazol-1-yl)-N-(6-methyl-3-pyridinyl)pyridine-3-carboxamide
CID 166228864
(2S,4S)-2-methyl-N-(6-phenoxy-3-pyridinyl)piperidine-4-carboxamide;dihydrochloride
CID 120642212
N-[2-(3,5-dimethylpyrazol-1-yl)pyrimidin-5-yl]cyclopropanecarboxamide
CID 122300412
(2S,4S)-N-(3-acetamido-4-methylphenyl)-2-methylpiperidine-4-carboxamide;hydrochloride
CID 120620817
3-amino-N-[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]-2-methylbutanamide;dihydrochloride
CID 120502939
1-amino-N-[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]cyclohexane-1-carboxamide;dihydrochloride
CID 119848681
N-(3,4-dichlorophenyl)-2-methylpiperidine-4-carboxamide
CID 106738581

Frequently Asked Questions

What is the IUPAC name of (2S,4S)-N-[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]-2-methylpiperidine-4-carboxamide;hydrochloride?
The IUPAC name of (2S,4S)-N-[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]-2-methylpiperidine-4-carboxamide;hydrochloride (CID 120632728) is (2S,4S)-N-[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]-2-methylpiperidine-4-carboxamide;hydrochloride.
What is the SMILES notation for (2S,4S)-N-[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]-2-methylpiperidine-4-carboxamide;hydrochloride?
The canonical SMILES for (2S,4S)-N-[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]-2-methylpiperidine-4-carboxamide;hydrochloride is Cc1cc(C)n(-c2ccc(NC(=O)[C@H]3CCN[C@@H](C)C3)cn2)n1.Cl.
What is the InChIKey of (2S,4S)-N-[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]-2-methylpiperidine-4-carboxamide;hydrochloride?
The InChIKey is IMPGRALVLHEDMR-XCBLFTOQSA-N. The full InChI is InChI=1S/C17H23N5O.ClH/c1-11-9-14(6-7-18-11)17(23)20-15-4-5-16(19-10-15)22-13(3)8-12(2)21-22;/h4-5,8,10-11,14,18H,6-7,9H2,1-3H3,(H,20,23);1H/t11-,14-;/m0./s1.
What are the key properties of (2S,4S)-N-[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]-2-methylpiperidine-4-carboxamide;hydrochloride?
(2S,4S)-N-[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]-2-methylpiperidine-4-carboxamide;hydrochloride has a molecular weight of 349.87 g/mol, XLogP of 2.63, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4S)-N-[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]-2-methylpiperidine-4-carboxamide;hydrochloride is sourced from PubChem (CID 120632728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).