N-methyl-5-[(2S)-2-[(4-methylpyrazol-1-yl)methyl]piperidine-1-carbonyl]pyridine-2-carboxamide

C18H23N5O2 — CID 95603465

IUPACN-methyl-5-[(2S)-2-[(4-methylpyrazol-1-yl)methyl]piperidine-1-carbonyl]pyridine-2-carboxamide
SMILESCNC(=O)c1ccc(C(=O)N2CCCC[C@H]2Cn2cc(C)cn2)cn1
InChIInChI=1S/C18H23N5O2/c1-13-9-21-22(11-13)12-15-5-3-4-8-23(15)18(25)14-6-7-16(20-10-14)17(24)19-2/h6-7,9-11,15H,3-5,8,12H2,1-2H3,(H,19,24)/t15-/m0/s1
InChIKeyYJSIKJUITSFJFW-HNNXBMFYSA-N
MW341.42 g/mol
LogP1.64
Rot. Bonds4

About N-methyl-5-[(2S)-2-[(4-methylpyrazol-1-yl)methyl]piperidine-1-carbonyl]pyridine-2-carboxamide

N-methyl-5-[(2S)-2-[(4-methylpyrazol-1-yl)methyl]piperidine-1-carbonyl]pyridine-2-carboxamide (PubChem CID 95603465) has the molecular formula C18H23N5O2 and a molecular weight of 341.42 g/mol. Its IUPAC name is N-methyl-5-[(2S)-2-[(4-methylpyrazol-1-yl)methyl]piperidine-1-carbonyl]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-methyl-5-[(2S)-2-[(4-methylpyrazol-1-yl)methyl]piperidine-1-carbonyl]pyridine-2-carboxamide
PubChem CID95603465
Molecular FormulaC18H23N5O2
Molecular Weight341.42 g/mol
Exact Mass341.19
IUPAC NameN-methyl-5-[(2S)-2-[(4-methylpyrazol-1-yl)methyl]piperidine-1-carbonyl]pyridine-2-carboxamide
SMILESCNC(=O)c1ccc(C(=O)N2CCCC[C@H]2Cn2cc(C)cn2)cn1
InChIInChI=1S/C18H23N5O2/c1-13-9-21-22(11-13)12-15-5-3-4-8-23(15)18(25)14-6-7-16(20-10-14)17(24)19-2/h6-7,9-11,15H,3-5,8,12H2,1-2H3,(H,19,24)/t15-/m0/s1
InChIKeyYJSIKJUITSFJFW-HNNXBMFYSA-N
XLogP1.64
TPSA80.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.42
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[6-(dimethylamino)-3-pyridinyl]-[(2S)-2-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]methanone
CID 95603215
3-[1-[6-(methylcarbamoyl)pyridine-3-carbonyl]piperidin-2-yl]propanoic acid
CID 120536705
(6-ethoxy-3-pyridinyl)-[(2R)-2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]methanone
CID 95605710
(2R)-1-[6-(methylcarbamoyl)pyridine-3-carbonyl]piperidine-2-carboxylic acid
CID 120537319
1-methyl-4-[(2S)-2-[(4-methylpyrazol-1-yl)methyl]piperidine-1-carbonyl]pyridin-2-one
CID 95315079
2H-benzotriazol-5-yl-[(2S)-2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]methanone
CID 95349539
[(2R)-2-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]-(2-methyl-1,3-thiazol-4-yl)methanone
CID 95603369
[(2S)-2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]-[(1R,2R)-2-(trifluoromethyl)cyclohexyl]methanone
CID 129448791
(5-cyclopropyl-1-methylpyrazol-4-yl)-[2-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]methanone
CID 56779131
2-cyclopentyloxy-1-[(2S)-2-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]ethanone
CID 95603267
2-[cyclopropyl(methyl)amino]-1-[(2R)-2-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]ethanone
CID 95607626
2-methyl-6-[(2R)-2-[(4-methylpyrazol-1-yl)methyl]pyrrolidine-1-carbonyl]pyridine-3-carbonitrile
CID 95605633

Frequently Asked Questions

What is the IUPAC name of N-methyl-5-[(2S)-2-[(4-methylpyrazol-1-yl)methyl]piperidine-1-carbonyl]pyridine-2-carboxamide?
The IUPAC name of N-methyl-5-[(2S)-2-[(4-methylpyrazol-1-yl)methyl]piperidine-1-carbonyl]pyridine-2-carboxamide (CID 95603465) is N-methyl-5-[(2S)-2-[(4-methylpyrazol-1-yl)methyl]piperidine-1-carbonyl]pyridine-2-carboxamide.
What is the SMILES notation for N-methyl-5-[(2S)-2-[(4-methylpyrazol-1-yl)methyl]piperidine-1-carbonyl]pyridine-2-carboxamide?
The canonical SMILES for N-methyl-5-[(2S)-2-[(4-methylpyrazol-1-yl)methyl]piperidine-1-carbonyl]pyridine-2-carboxamide is CNC(=O)c1ccc(C(=O)N2CCCC[C@H]2Cn2cc(C)cn2)cn1.
What is the InChIKey of N-methyl-5-[(2S)-2-[(4-methylpyrazol-1-yl)methyl]piperidine-1-carbonyl]pyridine-2-carboxamide?
The InChIKey is YJSIKJUITSFJFW-HNNXBMFYSA-N. The full InChI is InChI=1S/C18H23N5O2/c1-13-9-21-22(11-13)12-15-5-3-4-8-23(15)18(25)14-6-7-16(20-10-14)17(24)19-2/h6-7,9-11,15H,3-5,8,12H2,1-2H3,(H,19,24)/t15-/m0/s1.
What are the key properties of N-methyl-5-[(2S)-2-[(4-methylpyrazol-1-yl)methyl]piperidine-1-carbonyl]pyridine-2-carboxamide?
N-methyl-5-[(2S)-2-[(4-methylpyrazol-1-yl)methyl]piperidine-1-carbonyl]pyridine-2-carboxamide has a molecular weight of 341.42 g/mol, XLogP of 1.64, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-5-[(2S)-2-[(4-methylpyrazol-1-yl)methyl]piperidine-1-carbonyl]pyridine-2-carboxamide is sourced from PubChem (CID 95603465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).