(3R)-1-[5-(3,5-dimethylpyrazol-1-yl)-2-pyridinyl]-N-methylpiperidine-3-carboxamide

C17H23N5O — CID 95785321

IUPAC(3R)-1-[5-(3,5-dimethylpyrazol-1-yl)-2-pyridinyl]-N-methylpiperidine-3-carboxamide
SMILESCNC(=O)[C@@H]1CCCN(c2ccc(-n3nc(C)cc3C)cn2)C1
InChIInChI=1S/C17H23N5O/c1-12-9-13(2)22(20-12)15-6-7-16(19-10-15)21-8-4-5-14(11-21)17(23)18-3/h6-7,9-10,14H,4-5,8,11H2,1-3H3,(H,18,23)/t14-/m1/s1
InChIKeyUUPLTZRAVITTRU-CQSZACIVSA-N
MW313.41 g/mol
LogP1.85
Rot. Bonds3

About (3R)-1-[5-(3,5-dimethylpyrazol-1-yl)-2-pyridinyl]-N-methylpiperidine-3-carboxamide

(3R)-1-[5-(3,5-dimethylpyrazol-1-yl)-2-pyridinyl]-N-methylpiperidine-3-carboxamide (PubChem CID 95785321) has the molecular formula C17H23N5O and a molecular weight of 313.41 g/mol. Its IUPAC name is (3R)-1-[5-(3,5-dimethylpyrazol-1-yl)-2-pyridinyl]-N-methylpiperidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-1-[5-(3,5-dimethylpyrazol-1-yl)-2-pyridinyl]-N-methylpiperidine-3-carboxamide
PubChem CID95785321
Molecular FormulaC17H23N5O
Molecular Weight313.41 g/mol
Exact Mass313.19
IUPAC Name(3R)-1-[5-(3,5-dimethylpyrazol-1-yl)-2-pyridinyl]-N-methylpiperidine-3-carboxamide
SMILESCNC(=O)[C@@H]1CCCN(c2ccc(-n3nc(C)cc3C)cn2)C1
InChIInChI=1S/C17H23N5O/c1-12-9-13(2)22(20-12)15-6-7-16(19-10-15)21-8-4-5-14(11-21)17(23)18-3/h6-7,9-10,14H,4-5,8,11H2,1-3H3,(H,18,23)/t14-/m1/s1
InChIKeyUUPLTZRAVITTRU-CQSZACIVSA-N
XLogP1.85
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.41
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[5-(1-hydroxyethyl)-2-pyridinyl]-N-methylpiperidine-3-carboxamide
CID 103196725
1-[5-(aminomethyl)-2-pyridinyl]-N-methylpiperidine-3-carboxamide
CID 103194591
1-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]-N-pyrimidin-2-ylpiperidine-3-carboxamide
CID 90514681
(3S)-N-[4-(3,5-dimethylpyrazol-1-yl)phenyl]-1-pyrimidin-2-ylpiperidine-3-carboxamide
CID 37037042
N-methyl-1-pyridin-2-ylpiperidine-3-carboxamide
CID 133270598
N-cycloheptyl-1-[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]piperidine-3-carboxamide
CID 90520777
[4-[5-(3,5-dimethylpyrazol-1-yl)-2-pyridinyl]piperazin-1-yl]-[(1R,2R)-2-methylcyclopropyl]methanone
CID 97044596
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-(4-methyl-2-pyridinyl)piperidine-3-carboxamide
CID 90520908
1-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]-N-[(4-iodophenyl)methyl]piperidine-3-carboxamide
CID 90514647
N-(4-bromo-2-methylphenyl)-1-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]piperidine-3-carboxamide
CID 90514637
1-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]-N-(2-ethoxyphenyl)piperidine-3-carboxamide
CID 90514602

Frequently Asked Questions

What is the IUPAC name of (3R)-1-[5-(3,5-dimethylpyrazol-1-yl)-2-pyridinyl]-N-methylpiperidine-3-carboxamide?
The IUPAC name of (3R)-1-[5-(3,5-dimethylpyrazol-1-yl)-2-pyridinyl]-N-methylpiperidine-3-carboxamide (CID 95785321) is (3R)-1-[5-(3,5-dimethylpyrazol-1-yl)-2-pyridinyl]-N-methylpiperidine-3-carboxamide.
What is the SMILES notation for (3R)-1-[5-(3,5-dimethylpyrazol-1-yl)-2-pyridinyl]-N-methylpiperidine-3-carboxamide?
The canonical SMILES for (3R)-1-[5-(3,5-dimethylpyrazol-1-yl)-2-pyridinyl]-N-methylpiperidine-3-carboxamide is CNC(=O)[C@@H]1CCCN(c2ccc(-n3nc(C)cc3C)cn2)C1.
What is the InChIKey of (3R)-1-[5-(3,5-dimethylpyrazol-1-yl)-2-pyridinyl]-N-methylpiperidine-3-carboxamide?
The InChIKey is UUPLTZRAVITTRU-CQSZACIVSA-N. The full InChI is InChI=1S/C17H23N5O/c1-12-9-13(2)22(20-12)15-6-7-16(19-10-15)21-8-4-5-14(11-21)17(23)18-3/h6-7,9-10,14H,4-5,8,11H2,1-3H3,(H,18,23)/t14-/m1/s1.
What are the key properties of (3R)-1-[5-(3,5-dimethylpyrazol-1-yl)-2-pyridinyl]-N-methylpiperidine-3-carboxamide?
(3R)-1-[5-(3,5-dimethylpyrazol-1-yl)-2-pyridinyl]-N-methylpiperidine-3-carboxamide has a molecular weight of 313.41 g/mol, XLogP of 1.85, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-[5-(3,5-dimethylpyrazol-1-yl)-2-pyridinyl]-N-methylpiperidine-3-carboxamide is sourced from PubChem (CID 95785321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).