1-(3-cyanopyrazin-2-yl)-N-methylpiperidine-4-carboxamide

C12H15N5O — CID 62684699

IUPAC1-(3-cyanopyrazin-2-yl)-N-methylpiperidine-4-carboxamide
SMILESCNC(=O)C1CCN(c2nccnc2C#N)CC1
InChIInChI=1S/C12H15N5O/c1-14-12(18)9-2-6-17(7-3-9)11-10(8-13)15-4-5-16-11/h4-5,9H,2-3,6-7H2,1H3,(H,14,18)
InChIKeyKCOMRUOCMHOWCE-UHFFFAOYSA-N
MW245.29 g/mol
LogP0.31
Rot. Bonds2

About 1-(3-cyanopyrazin-2-yl)-N-methylpiperidine-4-carboxamide

1-(3-cyanopyrazin-2-yl)-N-methylpiperidine-4-carboxamide (PubChem CID 62684699) has the molecular formula C12H15N5O and a molecular weight of 245.29 g/mol. Its IUPAC name is 1-(3-cyanopyrazin-2-yl)-N-methylpiperidine-4-carboxamide.

Molecular Properties

Compound Name1-(3-cyanopyrazin-2-yl)-N-methylpiperidine-4-carboxamide
PubChem CID62684699
Molecular FormulaC12H15N5O
Molecular Weight245.29 g/mol
Exact Mass245.13
IUPAC Name1-(3-cyanopyrazin-2-yl)-N-methylpiperidine-4-carboxamide
SMILESCNC(=O)C1CCN(c2nccnc2C#N)CC1
InChIInChI=1S/C12H15N5O/c1-14-12(18)9-2-6-17(7-3-9)11-10(8-13)15-4-5-16-11/h4-5,9H,2-3,6-7H2,1H3,(H,14,18)
InChIKeyKCOMRUOCMHOWCE-UHFFFAOYSA-N
XLogP0.31
TPSA81.91 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.29
LogP ≤ 50.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(3-cyanopyrazin-2-yl)-N-(5-methyl-2-pyridinyl)piperidine-4-carboxamide
CID 133283658
N-[[1-(3-cyanopyrazin-2-yl)piperidin-4-yl]methyl]cyclohexanecarboxamide
CID 121109858
N-[1-(3-cyanopyrazin-2-yl)piperidin-4-yl]-2,2-dimethylpropanamide
CID 163348934
3-(4-propan-2-ylpiperidin-1-yl)pyrazine-2-carbonitrile
CID 59598857
1-(5-cyano-2-pyridinyl)-N-methylpiperidine-4-carboxamide
CID 47135971
N-methyl-1-[3-(trifluoromethyl)-2-pyridinyl]piperidine-4-carboxamide
CID 47174519
(3R)-N-methyl-1-pyrimidin-2-ylpyrrolidine-3-carboxamide
CID 95839521
N-[1-(3-cyanopyrazin-2-yl)piperidin-4-yl]-N-methylcyclopropanesulfonamide
CID 163346285
3-[4-(cyclopropylmethylamino)piperidin-1-yl]pyrazine-2-carbonitrile
CID 115307614
N-methyl-2-[3-(methylcarbamoyl)pyrrolidin-1-yl]pyridine-3-carboxamide
CID 135095238
1-(4-amino-2-cyanophenyl)-N-methylpiperidine-4-carboxamide
CID 61296551
methyl 1-(3-cyanopyrazin-2-yl)piperidine-2-carboxylate
CID 115534569

Frequently Asked Questions

What is the IUPAC name of 1-(3-cyanopyrazin-2-yl)-N-methylpiperidine-4-carboxamide?
The IUPAC name of 1-(3-cyanopyrazin-2-yl)-N-methylpiperidine-4-carboxamide (CID 62684699) is 1-(3-cyanopyrazin-2-yl)-N-methylpiperidine-4-carboxamide.
What is the SMILES notation for 1-(3-cyanopyrazin-2-yl)-N-methylpiperidine-4-carboxamide?
The canonical SMILES for 1-(3-cyanopyrazin-2-yl)-N-methylpiperidine-4-carboxamide is CNC(=O)C1CCN(c2nccnc2C#N)CC1.
What is the InChIKey of 1-(3-cyanopyrazin-2-yl)-N-methylpiperidine-4-carboxamide?
The InChIKey is KCOMRUOCMHOWCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N5O/c1-14-12(18)9-2-6-17(7-3-9)11-10(8-13)15-4-5-16-11/h4-5,9H,2-3,6-7H2,1H3,(H,14,18).
What are the key properties of 1-(3-cyanopyrazin-2-yl)-N-methylpiperidine-4-carboxamide?
1-(3-cyanopyrazin-2-yl)-N-methylpiperidine-4-carboxamide has a molecular weight of 245.29 g/mol, XLogP of 0.31, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-cyanopyrazin-2-yl)-N-methylpiperidine-4-carboxamide is sourced from PubChem (CID 62684699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).