1-[3-(aminomethyl)pyrazin-2-yl]piperidine-2-carboxamide

C11H17N5O — CID 62672889

IUPAC1-[3-(aminomethyl)pyrazin-2-yl]piperidine-2-carboxamide
SMILESNCc1nccnc1N1CCCCC1C(N)=O
InChIInChI=1S/C11H17N5O/c12-7-8-11(15-5-4-14-8)16-6-2-1-3-9(16)10(13)17/h4-5,9H,1-3,6-7,12H2,(H2,13,17)
InChIKeyNMLPONKMOHQPNW-UHFFFAOYSA-N
MW235.29 g/mol
LogP-0.22
Rot. Bonds3

About 1-[3-(aminomethyl)pyrazin-2-yl]piperidine-2-carboxamide

1-[3-(aminomethyl)pyrazin-2-yl]piperidine-2-carboxamide (PubChem CID 62672889) has the molecular formula C11H17N5O and a molecular weight of 235.29 g/mol. Its IUPAC name is 1-[3-(aminomethyl)pyrazin-2-yl]piperidine-2-carboxamide.

Molecular Properties

Compound Name1-[3-(aminomethyl)pyrazin-2-yl]piperidine-2-carboxamide
PubChem CID62672889
Molecular FormulaC11H17N5O
Molecular Weight235.29 g/mol
Exact Mass235.14
IUPAC Name1-[3-(aminomethyl)pyrazin-2-yl]piperidine-2-carboxamide
SMILESNCc1nccnc1N1CCCCC1C(N)=O
InChIInChI=1S/C11H17N5O/c12-7-8-11(15-5-4-14-8)16-6-2-1-3-9(16)10(13)17/h4-5,9H,1-3,6-7,12H2,(H2,13,17)
InChIKeyNMLPONKMOHQPNW-UHFFFAOYSA-N
XLogP-0.22
TPSA98.13 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.29
LogP ≤ 5-0.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-[1-[3-(aminomethyl)pyrazin-2-yl]pyrrolidin-2-yl]propan-1-ol
CID 55104264
2-(2-carbamoylpyrrolidin-1-yl)-3-fluoropyridine-4-carboxylic acid
CID 105381860
(2S)-1-(3-phenyl-2-pyridinyl)pyrrolidine-2-carboxamide
CID 58067491
1-(3-cyano-2-pyridinyl)pyrrolidine-2-carboxamide
CID 43183688
1-(2-methylpyrimidin-4-yl)piperidine-2-carboxamide
CID 110269417
1-[4-(aminomethyl)pyridazin-3-yl]-N-methylpiperidine-2-carboxamide
CID 80509107
2-(2-carbamoylpiperidin-1-yl)-6-chloropyridine-3-carboxylic acid
CID 63380093
(E)-3-[6-(2-carbamoylpiperidin-1-yl)-5-methyl-3-pyridinyl]prop-2-enoic acid
CID 80636784
1-(6-amino-2,5-dimethylpyrimidin-4-yl)piperidine-2-carboxamide
CID 80806267
1-(3-carbamoylpyrazin-2-yl)pyrrolidine-2-carboxylic acid
CID 62684493
1-(6-amino-2-ethyl-5-methylpyrimidin-4-yl)piperidine-2-carboxamide
CID 80986918
1-(6-chloro-5-methylpyrimidin-4-yl)pyrrolidine-2-carboxamide
CID 63736298

Frequently Asked Questions

What is the IUPAC name of 1-[3-(aminomethyl)pyrazin-2-yl]piperidine-2-carboxamide?
The IUPAC name of 1-[3-(aminomethyl)pyrazin-2-yl]piperidine-2-carboxamide (CID 62672889) is 1-[3-(aminomethyl)pyrazin-2-yl]piperidine-2-carboxamide.
What is the SMILES notation for 1-[3-(aminomethyl)pyrazin-2-yl]piperidine-2-carboxamide?
The canonical SMILES for 1-[3-(aminomethyl)pyrazin-2-yl]piperidine-2-carboxamide is NCc1nccnc1N1CCCCC1C(N)=O.
What is the InChIKey of 1-[3-(aminomethyl)pyrazin-2-yl]piperidine-2-carboxamide?
The InChIKey is NMLPONKMOHQPNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N5O/c12-7-8-11(15-5-4-14-8)16-6-2-1-3-9(16)10(13)17/h4-5,9H,1-3,6-7,12H2,(H2,13,17).
What are the key properties of 1-[3-(aminomethyl)pyrazin-2-yl]piperidine-2-carboxamide?
1-[3-(aminomethyl)pyrazin-2-yl]piperidine-2-carboxamide has a molecular weight of 235.29 g/mol, XLogP of -0.22, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(aminomethyl)pyrazin-2-yl]piperidine-2-carboxamide is sourced from PubChem (CID 62672889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).