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

C13H13N5O3 — CID 30831083

IUPAC3-amino-N-[4-(2-amino-2-oxoethoxy)phenyl]pyrazine-2-carboxamide
SMILESNC(=O)COc1ccc(NC(=O)c2nccnc2N)cc1
InChIInChI=1S/C13H13N5O3/c14-10(19)7-21-9-3-1-8(2-4-9)18-13(20)11-12(15)17-6-5-16-11/h1-6H,7H2,(H2,14,19)(H2,15,17)(H,18,20)
InChIKeyTYVBRWDIDRAPCB-UHFFFAOYSA-N
MW287.28 g/mol
LogP0.18
Rot. Bonds5

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

3-amino-N-[4-(2-amino-2-oxoethoxy)phenyl]pyrazine-2-carboxamide (PubChem CID 30831083) has the molecular formula C13H13N5O3 and a molecular weight of 287.28 g/mol. Its IUPAC name is 3-amino-N-[4-(2-amino-2-oxoethoxy)phenyl]pyrazine-2-carboxamide.

Molecular Properties

Compound Name3-amino-N-[4-(2-amino-2-oxoethoxy)phenyl]pyrazine-2-carboxamide
PubChem CID30831083
Molecular FormulaC13H13N5O3
Molecular Weight287.28 g/mol
Exact Mass287.10
IUPAC Name3-amino-N-[4-(2-amino-2-oxoethoxy)phenyl]pyrazine-2-carboxamide
SMILESNC(=O)COc1ccc(NC(=O)c2nccnc2N)cc1
InChIInChI=1S/C13H13N5O3/c14-10(19)7-21-9-3-1-8(2-4-9)18-13(20)11-12(15)17-6-5-16-11/h1-6H,7H2,(H2,14,19)(H2,15,17)(H,18,20)
InChIKeyTYVBRWDIDRAPCB-UHFFFAOYSA-N
XLogP0.18
TPSA133.22 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.28
LogP ≤ 50.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

3-amino-N-(4-iodophenyl)pyrazine-2-carboxamide
CID 46525550
3-amino-N-[4-[2-(methylamino)-2-oxoethyl]phenyl]pyrazine-2-carboxamide
CID 38404382
N-[4-(2-amino-2-oxoethoxy)phenyl]-2-chloropyridine-4-carboxamide
CID 38383627
N-[4-(2-amino-2-oxoethoxy)phenyl]-2-bromopyridine-4-carboxamide
CID 103752263
N-[4-(2-amino-2-oxoethoxy)phenyl]-1,3-thiazole-4-carboxamide
CID 62045992
4-(2-amino-2-oxoethoxy)-N-phenylbenzamide
CID 27166758
N-[4-(2-amino-2-oxoethoxy)phenyl]-6-bromopyridine-3-carboxamide
CID 66464099
N-[4-(2-amino-2-oxoethoxy)phenyl]-2-chlorofuran-3-carboxamide
CID 106685995
3-amino-N-[4-(2-amino-2-oxoethoxy)phenyl]propanamide
CID 43707093
2-[4-[(2-methoxyacetyl)amino]phenoxy]acetamide
CID 47156560
2-[4-[(2-propan-2-yloxyacetyl)amino]phenoxy]acetamide
CID 47412803
N-[4-(2-amino-2-oxoethoxy)phenyl]-4-(dimethylamino)benzamide
CID 38381282

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[4-(2-amino-2-oxoethoxy)phenyl]pyrazine-2-carboxamide?
The IUPAC name of 3-amino-N-[4-(2-amino-2-oxoethoxy)phenyl]pyrazine-2-carboxamide (CID 30831083) is 3-amino-N-[4-(2-amino-2-oxoethoxy)phenyl]pyrazine-2-carboxamide.
What is the SMILES notation for 3-amino-N-[4-(2-amino-2-oxoethoxy)phenyl]pyrazine-2-carboxamide?
The canonical SMILES for 3-amino-N-[4-(2-amino-2-oxoethoxy)phenyl]pyrazine-2-carboxamide is NC(=O)COc1ccc(NC(=O)c2nccnc2N)cc1.
What is the InChIKey of 3-amino-N-[4-(2-amino-2-oxoethoxy)phenyl]pyrazine-2-carboxamide?
The InChIKey is TYVBRWDIDRAPCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N5O3/c14-10(19)7-21-9-3-1-8(2-4-9)18-13(20)11-12(15)17-6-5-16-11/h1-6H,7H2,(H2,14,19)(H2,15,17)(H,18,20).
What are the key properties of 3-amino-N-[4-(2-amino-2-oxoethoxy)phenyl]pyrazine-2-carboxamide?
3-amino-N-[4-(2-amino-2-oxoethoxy)phenyl]pyrazine-2-carboxamide has a molecular weight of 287.28 g/mol, XLogP of 0.18, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[4-(2-amino-2-oxoethoxy)phenyl]pyrazine-2-carboxamide is sourced from PubChem (CID 30831083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).