(3S)-N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-1-pyridin-2-ylpiperidine-3-carboxamide

C18H25N5O — CID 99957148

IUPAC(3S)-N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-1-pyridin-2-ylpiperidine-3-carboxamide
SMILESCc1cc(C)n(CCNC(=O)[C@H]2CCCN(c3ccccn3)C2)n1
InChIInChI=1S/C18H25N5O/c1-14-12-15(2)23(21-14)11-9-20-18(24)16-6-5-10-22(13-16)17-7-3-4-8-19-17/h3-4,7-8,12,16H,5-6,9-11,13H2,1-2H3,(H,20,24)/t16-/m0/s1
InChIKeyUVNCSEIGKMGQJK-INIZCTEOSA-N
MW327.43 g/mol
LogP1.93
Rot. Bonds5

About (3S)-N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-1-pyridin-2-ylpiperidine-3-carboxamide

(3S)-N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-1-pyridin-2-ylpiperidine-3-carboxamide (PubChem CID 99957148) has the molecular formula C18H25N5O and a molecular weight of 327.43 g/mol. Its IUPAC name is (3S)-N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-1-pyridin-2-ylpiperidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-1-pyridin-2-ylpiperidine-3-carboxamide
PubChem CID99957148
Molecular FormulaC18H25N5O
Molecular Weight327.43 g/mol
Exact Mass327.21
IUPAC Name(3S)-N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-1-pyridin-2-ylpiperidine-3-carboxamide
SMILESCc1cc(C)n(CCNC(=O)[C@H]2CCCN(c3ccccn3)C2)n1
InChIInChI=1S/C18H25N5O/c1-14-12-15(2)23(21-14)11-9-20-18(24)16-6-5-10-22(13-16)17-7-3-4-8-19-17/h3-4,7-8,12,16H,5-6,9-11,13H2,1-2H3,(H,20,24)/t16-/m0/s1
InChIKeyUVNCSEIGKMGQJK-INIZCTEOSA-N
XLogP1.93
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.43
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(3R)-N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-1-pyridin-2-ylpiperidine-3-carboxamide
CID 99957145
1-(1,3-benzothiazol-2-yl)-N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]piperidine-3-carboxamide
CID 90609919
(3S)-N-[2-[(3R)-3-methylpiperidin-1-yl]ethyl]-1-pyridin-2-ylpiperidine-3-carboxamide
CID 124839677
(3S)-N-(2-benzylsulfanylethyl)-1-pyridin-2-ylpiperidine-3-carboxamide
CID 94149399
N-methyl-1-pyridin-2-ylpiperidine-3-carboxamide
CID 133270598
N-(3-cyclohexylsulfanylpropyl)-1-pyridin-2-ylpiperidine-3-carboxamide
CID 72902609
(3R)-N-(3,5-dimethylphenyl)-1-pyridin-2-ylpiperidine-3-carboxamide
CID 51962224
1-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]-N-(2-phenylethyl)piperidine-3-carboxamide
CID 90514623
1-[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]-N-[3-(6-oxopyridazin-1-yl)propyl]piperidine-3-carboxamide
CID 90520957
methyl (3S)-1-pyridin-2-ylpiperidine-3-carboxylate
CID 133326705
(3S)-1-(4,6-dimethylpyrimidin-2-yl)-N-(2-pyridin-2-ylethyl)piperidine-3-carboxamide
CID 96558079
(3S)-N-(1-ethylpiperidin-4-yl)-1-pyridin-2-ylpiperidine-3-carboxamide
CID 94824323

Frequently Asked Questions

What is the IUPAC name of (3S)-N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-1-pyridin-2-ylpiperidine-3-carboxamide?
The IUPAC name of (3S)-N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-1-pyridin-2-ylpiperidine-3-carboxamide (CID 99957148) is (3S)-N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-1-pyridin-2-ylpiperidine-3-carboxamide.
What is the SMILES notation for (3S)-N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-1-pyridin-2-ylpiperidine-3-carboxamide?
The canonical SMILES for (3S)-N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-1-pyridin-2-ylpiperidine-3-carboxamide is Cc1cc(C)n(CCNC(=O)[C@H]2CCCN(c3ccccn3)C2)n1.
What is the InChIKey of (3S)-N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-1-pyridin-2-ylpiperidine-3-carboxamide?
The InChIKey is UVNCSEIGKMGQJK-INIZCTEOSA-N. The full InChI is InChI=1S/C18H25N5O/c1-14-12-15(2)23(21-14)11-9-20-18(24)16-6-5-10-22(13-16)17-7-3-4-8-19-17/h3-4,7-8,12,16H,5-6,9-11,13H2,1-2H3,(H,20,24)/t16-/m0/s1.
What are the key properties of (3S)-N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-1-pyridin-2-ylpiperidine-3-carboxamide?
(3S)-N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-1-pyridin-2-ylpiperidine-3-carboxamide has a molecular weight of 327.43 g/mol, XLogP of 1.93, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-1-pyridin-2-ylpiperidine-3-carboxamide is sourced from PubChem (CID 99957148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).