(3S)-N-(1-methylpyrazol-3-yl)-1-pyrazin-2-ylpiperidine-3-carboxamide

C14H18N6O — CID 37000668

IUPAC(3S)-N-(1-methylpyrazol-3-yl)-1-pyrazin-2-ylpiperidine-3-carboxamide
SMILESCn1ccc(NC(=O)[C@H]2CCCN(c3cnccn3)C2)n1
InChIInChI=1S/C14H18N6O/c1-19-8-4-12(18-19)17-14(21)11-3-2-7-20(10-11)13-9-15-5-6-16-13/h4-6,8-9,11H,2-3,7,10H2,1H3,(H,17,18,21)/t11-/m0/s1
InChIKeyVAVOXNQQSUYKTM-NSHDSACASA-N
MW286.34 g/mol
LogP1.07
Rot. Bonds3

About (3S)-N-(1-methylpyrazol-3-yl)-1-pyrazin-2-ylpiperidine-3-carboxamide

(3S)-N-(1-methylpyrazol-3-yl)-1-pyrazin-2-ylpiperidine-3-carboxamide (PubChem CID 37000668) has the molecular formula C14H18N6O and a molecular weight of 286.34 g/mol. Its IUPAC name is (3S)-N-(1-methylpyrazol-3-yl)-1-pyrazin-2-ylpiperidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-N-(1-methylpyrazol-3-yl)-1-pyrazin-2-ylpiperidine-3-carboxamide
PubChem CID37000668
Molecular FormulaC14H18N6O
Molecular Weight286.34 g/mol
Exact Mass286.15
IUPAC Name(3S)-N-(1-methylpyrazol-3-yl)-1-pyrazin-2-ylpiperidine-3-carboxamide
SMILESCn1ccc(NC(=O)[C@H]2CCCN(c3cnccn3)C2)n1
InChIInChI=1S/C14H18N6O/c1-19-8-4-12(18-19)17-14(21)11-3-2-7-20(10-11)13-9-15-5-6-16-13/h4-6,8-9,11H,2-3,7,10H2,1H3,(H,17,18,21)/t11-/m0/s1
InChIKeyVAVOXNQQSUYKTM-NSHDSACASA-N
XLogP1.07
TPSA75.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.34
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(3R)-N-(6-methyl-2-pyridinyl)-1-pyrazin-2-ylpiperidine-3-carboxamide
CID 36998696
N-propan-2-yl-1-pyrazin-2-ylpiperidine-3-carboxamide
CID 42950778
N-(4-piperidin-1-ylphenyl)-1-pyrazin-2-ylpiperidine-3-carboxamide
CID 47024919
(3S)-N-(4-piperidin-1-ylphenyl)-1-pyrazin-2-ylpiperidine-3-carboxamide
CID 37070977
(3S)-N-tert-butyl-1-pyrazin-2-ylpiperidine-3-carboxamide
CID 94045960
(3S)-N-[2-(diethylamino)ethyl]-1-pyrazin-2-ylpiperidine-3-carboxamide
CID 94045944
(3S)-N-(6-methoxy-3-pyridinyl)-1-pyrazin-2-ylpiperidine-3-carboxamide
CID 36981777
(3S)-1-pyrazin-2-yl-N-(1,3,4-thiadiazol-2-yl)piperidine-3-carboxamide
CID 37027060
N-[5-(4-chlorophenoxy)-2-pyridinyl]-1-pyrazin-2-ylpiperidine-3-carboxamide
CID 167808965
ethyl N-[[(3R)-1-pyrazin-2-ylpiperidine-3-carbonyl]amino]carbamate
CID 37002369
(3R)-N-(4-morpholin-4-ylphenyl)-1-pyrazin-2-ylpiperidine-3-carboxamide
CID 36997778
(3S)-N-(5-acetamido-2-chlorophenyl)-1-pyrazin-2-ylpiperidine-3-carboxamide
CID 94632050

Frequently Asked Questions

What is the IUPAC name of (3S)-N-(1-methylpyrazol-3-yl)-1-pyrazin-2-ylpiperidine-3-carboxamide?
The IUPAC name of (3S)-N-(1-methylpyrazol-3-yl)-1-pyrazin-2-ylpiperidine-3-carboxamide (CID 37000668) is (3S)-N-(1-methylpyrazol-3-yl)-1-pyrazin-2-ylpiperidine-3-carboxamide.
What is the SMILES notation for (3S)-N-(1-methylpyrazol-3-yl)-1-pyrazin-2-ylpiperidine-3-carboxamide?
The canonical SMILES for (3S)-N-(1-methylpyrazol-3-yl)-1-pyrazin-2-ylpiperidine-3-carboxamide is Cn1ccc(NC(=O)[C@H]2CCCN(c3cnccn3)C2)n1.
What is the InChIKey of (3S)-N-(1-methylpyrazol-3-yl)-1-pyrazin-2-ylpiperidine-3-carboxamide?
The InChIKey is VAVOXNQQSUYKTM-NSHDSACASA-N. The full InChI is InChI=1S/C14H18N6O/c1-19-8-4-12(18-19)17-14(21)11-3-2-7-20(10-11)13-9-15-5-6-16-13/h4-6,8-9,11H,2-3,7,10H2,1H3,(H,17,18,21)/t11-/m0/s1.
What are the key properties of (3S)-N-(1-methylpyrazol-3-yl)-1-pyrazin-2-ylpiperidine-3-carboxamide?
(3S)-N-(1-methylpyrazol-3-yl)-1-pyrazin-2-ylpiperidine-3-carboxamide has a molecular weight of 286.34 g/mol, XLogP of 1.07, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-(1-methylpyrazol-3-yl)-1-pyrazin-2-ylpiperidine-3-carboxamide is sourced from PubChem (CID 37000668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).