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

C16H21N5O — CID 120632731

IUPAC(2S,4S)-2-methyl-N-[(2-pyrazol-1-yl-3-pyridinyl)methyl]piperidine-4-carboxamide
SMILESC[C@H]1C[C@@H](C(=O)NCc2cccnc2-n2cccn2)CCN1
InChIInChI=1S/C16H21N5O/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)/t12-,13-/m0/s1
InChIKeyDIBJCBMVXKPJSC-STQMWFEESA-N
MW299.38 g/mol
LogP1.27
Rot. Bonds4

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

(2S,4S)-2-methyl-N-[(2-pyrazol-1-yl-3-pyridinyl)methyl]piperidine-4-carboxamide (PubChem CID 120632731) has the molecular formula C16H21N5O and a molecular weight of 299.38 g/mol. Its IUPAC name is (2S,4S)-2-methyl-N-[(2-pyrazol-1-yl-3-pyridinyl)methyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name(2S,4S)-2-methyl-N-[(2-pyrazol-1-yl-3-pyridinyl)methyl]piperidine-4-carboxamide
PubChem CID120632731
Molecular FormulaC16H21N5O
Molecular Weight299.38 g/mol
Exact Mass299.17
IUPAC Name(2S,4S)-2-methyl-N-[(2-pyrazol-1-yl-3-pyridinyl)methyl]piperidine-4-carboxamide
SMILESC[C@H]1C[C@@H](C(=O)NCc2cccnc2-n2cccn2)CCN1
InChIInChI=1S/C16H21N5O/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)/t12-,13-/m0/s1
InChIKeyDIBJCBMVXKPJSC-STQMWFEESA-N
XLogP1.27
TPSA71.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.38
LogP ≤ 51.27
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;hydrochloride
CID 120632730
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,3R)-2-methyl-N-[(2-pyrazol-1-yl-3-pyridinyl)methyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 38431207
(2S,4S)-N-[(2-methoxyphenyl)methyl]-2-methylpiperidine-4-carboxamide
CID 120616660
N-[[2-(methoxymethyl)phenyl]methyl]-2-methylpiperidine-4-carboxamide
CID 106739192
2-(methylamino)-N-[(2-pyrazol-1-yl-3-pyridinyl)methyl]acetamide
CID 120703672

Frequently Asked Questions

What is the IUPAC name of (2S,4S)-2-methyl-N-[(2-pyrazol-1-yl-3-pyridinyl)methyl]piperidine-4-carboxamide?
The IUPAC name of (2S,4S)-2-methyl-N-[(2-pyrazol-1-yl-3-pyridinyl)methyl]piperidine-4-carboxamide (CID 120632731) is (2S,4S)-2-methyl-N-[(2-pyrazol-1-yl-3-pyridinyl)methyl]piperidine-4-carboxamide.
What is the SMILES notation for (2S,4S)-2-methyl-N-[(2-pyrazol-1-yl-3-pyridinyl)methyl]piperidine-4-carboxamide?
The canonical SMILES for (2S,4S)-2-methyl-N-[(2-pyrazol-1-yl-3-pyridinyl)methyl]piperidine-4-carboxamide is C[C@H]1C[C@@H](C(=O)NCc2cccnc2-n2cccn2)CCN1.
What is the InChIKey of (2S,4S)-2-methyl-N-[(2-pyrazol-1-yl-3-pyridinyl)methyl]piperidine-4-carboxamide?
The InChIKey is DIBJCBMVXKPJSC-STQMWFEESA-N. The full InChI is InChI=1S/C16H21N5O/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)/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?
(2S,4S)-2-methyl-N-[(2-pyrazol-1-yl-3-pyridinyl)methyl]piperidine-4-carboxamide has a molecular weight of 299.38 g/mol, XLogP of 1.27, 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 is sourced from PubChem (CID 120632731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).