N-[(4-ethylpiperazin-1-yl)methyl]pyrazine-2-carboxamide

C12H19N5O — CID 1233967

IUPACN-[(4-ethylpiperazin-1-yl)methyl]pyrazine-2-carboxamide
SMILESCCN1CCN(CNC(=O)c2cnccn2)CC1
InChIInChI=1S/C12H19N5O/c1-2-16-5-7-17(8-6-16)10-15-12(18)11-9-13-3-4-14-11/h3-4,9H,2,5-8,10H2,1H3,(H,15,18)
InChIKeyBNKHKKPTBZNXCH-UHFFFAOYSA-N
MW249.32 g/mol
LogP-0.20
Rot. Bonds4

About N-[(4-ethylpiperazin-1-yl)methyl]pyrazine-2-carboxamide

N-[(4-ethylpiperazin-1-yl)methyl]pyrazine-2-carboxamide (PubChem CID 1233967) has the molecular formula C12H19N5O and a molecular weight of 249.32 g/mol. Its IUPAC name is N-[(4-ethylpiperazin-1-yl)methyl]pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-[(4-ethylpiperazin-1-yl)methyl]pyrazine-2-carboxamide
PubChem CID1233967
Molecular FormulaC12H19N5O
Molecular Weight249.32 g/mol
Exact Mass249.16
IUPAC NameN-[(4-ethylpiperazin-1-yl)methyl]pyrazine-2-carboxamide
SMILESCCN1CCN(CNC(=O)c2cnccn2)CC1
InChIInChI=1S/C12H19N5O/c1-2-16-5-7-17(8-6-16)10-15-12(18)11-9-13-3-4-14-11/h3-4,9H,2,5-8,10H2,1H3,(H,15,18)
InChIKeyBNKHKKPTBZNXCH-UHFFFAOYSA-N
XLogP-0.20
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.32
LogP ≤ 5-0.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(4-ethylsulfonylpiperazin-1-yl)ethyl]pyrazine-2-carboxamide
CID 71689715
N-(2-hydroxyethyl)pyrazine-2-carboxamide
CID 14230272
N-(2,2-dimethylpropyl)pyrazine-2-carboxamide
CID 21060489
N-[10-(pyrazine-2-carbonylamino)decyl]pyrazine-2-carboxamide
CID 71517100
N-(2-methylprop-2-enyl)pyrazine-2-carboxamide
CID 114618266
N-[2-(1-methylpiperidin-4-yl)ethyl]pyrazine-2-carboxamide
CID 141475460
N-(2-amino-2-oxoethyl)pyrazine-2-carboxamide
CID 14101204
N-[2-(3-methylpiperidin-1-yl)ethyl]pyrazine-2-carboxamide
CID 47035916
N-(3-methyl-2-oxobutyl)pyrazine-2-carboxamide
CID 103874912
methyl N-[2-(pyrazine-2-carbonylamino)ethyl]carbamate
CID 108574667
N-(2,2-diethoxyethyl)pyrazine-2-carboxamide
CID 103602082
N-[3-(diethylamino)-3-oxopropyl]pyrazine-2-carboxamide
CID 51088431

Frequently Asked Questions

What is the IUPAC name of N-[(4-ethylpiperazin-1-yl)methyl]pyrazine-2-carboxamide?
The IUPAC name of N-[(4-ethylpiperazin-1-yl)methyl]pyrazine-2-carboxamide (CID 1233967) is N-[(4-ethylpiperazin-1-yl)methyl]pyrazine-2-carboxamide.
What is the SMILES notation for N-[(4-ethylpiperazin-1-yl)methyl]pyrazine-2-carboxamide?
The canonical SMILES for N-[(4-ethylpiperazin-1-yl)methyl]pyrazine-2-carboxamide is CCN1CCN(CNC(=O)c2cnccn2)CC1.
What is the InChIKey of N-[(4-ethylpiperazin-1-yl)methyl]pyrazine-2-carboxamide?
The InChIKey is BNKHKKPTBZNXCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N5O/c1-2-16-5-7-17(8-6-16)10-15-12(18)11-9-13-3-4-14-11/h3-4,9H,2,5-8,10H2,1H3,(H,15,18).
What are the key properties of N-[(4-ethylpiperazin-1-yl)methyl]pyrazine-2-carboxamide?
N-[(4-ethylpiperazin-1-yl)methyl]pyrazine-2-carboxamide has a molecular weight of 249.32 g/mol, XLogP of -0.20, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-ethylpiperazin-1-yl)methyl]pyrazine-2-carboxamide is sourced from PubChem (CID 1233967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).