3-amino-N-[4-[2-(methylamino)-2-oxoethyl]phenyl]pyrazine-2-carboxamide

C14H15N5O2 — CID 38404382

IUPAC3-amino-N-[4-[2-(methylamino)-2-oxoethyl]phenyl]pyrazine-2-carboxamide
SMILESCNC(=O)Cc1ccc(NC(=O)c2nccnc2N)cc1
InChIInChI=1S/C14H15N5O2/c1-16-11(20)8-9-2-4-10(5-3-9)19-14(21)12-13(15)18-7-6-17-12/h2-7H,8H2,1H3,(H2,15,18)(H,16,20)(H,19,21)
InChIKeyDTHHJDXGVVKUIH-UHFFFAOYSA-N
MW285.31 g/mol
LogP0.60
Rot. Bonds4

About 3-amino-N-[4-[2-(methylamino)-2-oxoethyl]phenyl]pyrazine-2-carboxamide

3-amino-N-[4-[2-(methylamino)-2-oxoethyl]phenyl]pyrazine-2-carboxamide (PubChem CID 38404382) has the molecular formula C14H15N5O2 and a molecular weight of 285.31 g/mol. Its IUPAC name is 3-amino-N-[4-[2-(methylamino)-2-oxoethyl]phenyl]pyrazine-2-carboxamide.

Molecular Properties

Compound Name3-amino-N-[4-[2-(methylamino)-2-oxoethyl]phenyl]pyrazine-2-carboxamide
PubChem CID38404382
Molecular FormulaC14H15N5O2
Molecular Weight285.31 g/mol
Exact Mass285.12
IUPAC Name3-amino-N-[4-[2-(methylamino)-2-oxoethyl]phenyl]pyrazine-2-carboxamide
SMILESCNC(=O)Cc1ccc(NC(=O)c2nccnc2N)cc1
InChIInChI=1S/C14H15N5O2/c1-16-11(20)8-9-2-4-10(5-3-9)19-14(21)12-13(15)18-7-6-17-12/h2-7H,8H2,1H3,(H2,15,18)(H,16,20)(H,19,21)
InChIKeyDTHHJDXGVVKUIH-UHFFFAOYSA-N
XLogP0.60
TPSA110.00 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.31
LogP ≤ 50.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

3-amino-N-(4-iodophenyl)pyrazine-2-carboxamide
CID 46525550
4-amino-N-[4-[2-(methylamino)-2-oxoethyl]phenyl]benzamide
CID 43707293
3-amino-N-[4-(2-amino-2-oxoethoxy)phenyl]pyrazine-2-carboxamide
CID 30831083
3-amino-N-[4-fluoro-3-[(2-phenylacetyl)amino]phenyl]pyrazine-2-carboxamide
CID 167986166
3-amino-N-(3-benzyl-4-methoxyphenyl)pyrazine-2-carboxamide
CID 17443833
3-N-[4-(pyridin-4-ylmethyl)phenyl]pyrazine-2,3-dicarboxamide
CID 154744382
3-amino-N-(4-pyrrolidin-1-ylphenyl)pyrazine-2-carboxamide
CID 42393792
5-methyl-N-[4-[2-(methylamino)-2-oxoethyl]phenyl]-1H-indazole-3-carboxamide
CID 78865849
3-amino-N-(4-imidazol-1-ylphenyl)pyrazine-2-carboxamide
CID 31410270
3-amino-N-[4-(4,5-dimethyl-1,3-oxazol-2-yl)phenyl]pyrazine-2-carboxamide
CID 136577955
4-iodo-N-[4-[2-(methylamino)-2-oxoethyl]phenyl]benzamide
CID 35364713
3-amino-N-[4-(1,2,4-oxadiazol-3-yl)phenyl]pyrazine-2-carboxamide
CID 167744736

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[4-[2-(methylamino)-2-oxoethyl]phenyl]pyrazine-2-carboxamide?
The IUPAC name of 3-amino-N-[4-[2-(methylamino)-2-oxoethyl]phenyl]pyrazine-2-carboxamide (CID 38404382) is 3-amino-N-[4-[2-(methylamino)-2-oxoethyl]phenyl]pyrazine-2-carboxamide.
What is the SMILES notation for 3-amino-N-[4-[2-(methylamino)-2-oxoethyl]phenyl]pyrazine-2-carboxamide?
The canonical SMILES for 3-amino-N-[4-[2-(methylamino)-2-oxoethyl]phenyl]pyrazine-2-carboxamide is CNC(=O)Cc1ccc(NC(=O)c2nccnc2N)cc1.
What is the InChIKey of 3-amino-N-[4-[2-(methylamino)-2-oxoethyl]phenyl]pyrazine-2-carboxamide?
The InChIKey is DTHHJDXGVVKUIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N5O2/c1-16-11(20)8-9-2-4-10(5-3-9)19-14(21)12-13(15)18-7-6-17-12/h2-7H,8H2,1H3,(H2,15,18)(H,16,20)(H,19,21).
What are the key properties of 3-amino-N-[4-[2-(methylamino)-2-oxoethyl]phenyl]pyrazine-2-carboxamide?
3-amino-N-[4-[2-(methylamino)-2-oxoethyl]phenyl]pyrazine-2-carboxamide has a molecular weight of 285.31 g/mol, XLogP of 0.60, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[4-[2-(methylamino)-2-oxoethyl]phenyl]pyrazine-2-carboxamide is sourced from PubChem (CID 38404382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).