N-methyl-N-(piperidin-3-ylmethyl)pyrazine-2-carboxamide

C12H18N4O — CID 71642090

IUPACN-methyl-N-(piperidin-3-ylmethyl)pyrazine-2-carboxamide
SMILESCN(CC1CCCNC1)C(=O)c1cnccn1
InChIInChI=1S/C12H18N4O/c1-16(9-10-3-2-4-13-7-10)12(17)11-8-14-5-6-15-11/h5-6,8,10,13H,2-4,7,9H2,1H3
InChIKeyQWUSSHLFLYGYTO-UHFFFAOYSA-N
MW234.30 g/mol
LogP0.55
Rot. Bonds3

About N-methyl-N-(piperidin-3-ylmethyl)pyrazine-2-carboxamide

N-methyl-N-(piperidin-3-ylmethyl)pyrazine-2-carboxamide (PubChem CID 71642090) has the molecular formula C12H18N4O and a molecular weight of 234.30 g/mol. Its IUPAC name is N-methyl-N-(piperidin-3-ylmethyl)pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-methyl-N-(piperidin-3-ylmethyl)pyrazine-2-carboxamide
PubChem CID71642090
Molecular FormulaC12H18N4O
Molecular Weight234.30 g/mol
Exact Mass234.15
IUPAC NameN-methyl-N-(piperidin-3-ylmethyl)pyrazine-2-carboxamide
SMILESCN(CC1CCCNC1)C(=O)c1cnccn1
InChIInChI=1S/C12H18N4O/c1-16(9-10-3-2-4-13-7-10)12(17)11-8-14-5-6-15-11/h5-6,8,10,13H,2-4,7,9H2,1H3
InChIKeyQWUSSHLFLYGYTO-UHFFFAOYSA-N
XLogP0.55
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 50.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-N-[[(3R)-piperidin-3-yl]methyl]pyrazine-2-carboxamide
CID 97164409
N-methyl-N-[[(2S)-pyrrolidin-2-yl]methyl]pyrazine-2-carboxamide
CID 97164269
N-methyl-N-(piperidin-3-ylmethyl)pyrimidine-5-carboxamide
CID 106627674
N-methyl-N-(piperidin-3-ylmethyl)pyrazin-2-amine;hydrochloride
CID 71642141
N-cyclopropyl-N-(piperidine-3-carbonyl)pyrazine-2-carboxamide
CID 91953778
N-(piperidin-3-ylmethyl)-N-propan-2-ylpyrazin-2-amine
CID 106643250
N,3-dimethyl-N-(piperidin-3-ylmethyl)-1,2-oxazole-5-carboxamide
CID 106627878
5-bromo-N-methyl-N-(piperidin-3-ylmethyl)thiophene-3-carboxamide
CID 114021534
N-methyl-N-piperidin-4-ylpyrazine-2-carboxamide
CID 43602062
N-methyl-N-(piperidin-3-ylmethyl)-5-(triazol-1-yl)pyridine-3-carboxamide
CID 167945109
N-methyl-N-piperidin-4-ylpyrazine-2-carboxamide;hydrochloride
CID 71641434
2-[methyl-[(3R)-pyrrolidin-3-yl]amino]-1-pyrazin-2-ylethanone
CID 71641602

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(piperidin-3-ylmethyl)pyrazine-2-carboxamide?
The IUPAC name of N-methyl-N-(piperidin-3-ylmethyl)pyrazine-2-carboxamide (CID 71642090) is N-methyl-N-(piperidin-3-ylmethyl)pyrazine-2-carboxamide.
What is the SMILES notation for N-methyl-N-(piperidin-3-ylmethyl)pyrazine-2-carboxamide?
The canonical SMILES for N-methyl-N-(piperidin-3-ylmethyl)pyrazine-2-carboxamide is CN(CC1CCCNC1)C(=O)c1cnccn1.
What is the InChIKey of N-methyl-N-(piperidin-3-ylmethyl)pyrazine-2-carboxamide?
The InChIKey is QWUSSHLFLYGYTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O/c1-16(9-10-3-2-4-13-7-10)12(17)11-8-14-5-6-15-11/h5-6,8,10,13H,2-4,7,9H2,1H3.
What are the key properties of N-methyl-N-(piperidin-3-ylmethyl)pyrazine-2-carboxamide?
N-methyl-N-(piperidin-3-ylmethyl)pyrazine-2-carboxamide has a molecular weight of 234.30 g/mol, XLogP of 0.55, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(piperidin-3-ylmethyl)pyrazine-2-carboxamide is sourced from PubChem (CID 71642090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).