3-amino-N-[3-(4,5-dimethyl-1H-imidazol-2-yl)phenyl]pyrazine-2-carboxamide

C16H16N6O — CID 75369727

IUPAC3-amino-N-[3-(4,5-dimethyl-1H-imidazol-2-yl)phenyl]pyrazine-2-carboxamide
SMILESCc1nc(-c2cccc(NC(=O)c3nccnc3N)c2)[nH]c1C
InChIInChI=1S/C16H16N6O/c1-9-10(2)21-15(20-9)11-4-3-5-12(8-11)22-16(23)13-14(17)19-7-6-18-13/h3-8H,1-2H3,(H2,17,19)(H,20,21)(H,22,23)
InChIKeyZEAOAFCUSPCNPV-UHFFFAOYSA-N
MW308.35 g/mol
LogP2.32
Rot. Bonds3

About 3-amino-N-[3-(4,5-dimethyl-1H-imidazol-2-yl)phenyl]pyrazine-2-carboxamide

3-amino-N-[3-(4,5-dimethyl-1H-imidazol-2-yl)phenyl]pyrazine-2-carboxamide (PubChem CID 75369727) has the molecular formula C16H16N6O and a molecular weight of 308.35 g/mol. Its IUPAC name is 3-amino-N-[3-(4,5-dimethyl-1H-imidazol-2-yl)phenyl]pyrazine-2-carboxamide.

Molecular Properties

Compound Name3-amino-N-[3-(4,5-dimethyl-1H-imidazol-2-yl)phenyl]pyrazine-2-carboxamide
PubChem CID75369727
Molecular FormulaC16H16N6O
Molecular Weight308.35 g/mol
Exact Mass308.14
IUPAC Name3-amino-N-[3-(4,5-dimethyl-1H-imidazol-2-yl)phenyl]pyrazine-2-carboxamide
SMILESCc1nc(-c2cccc(NC(=O)c3nccnc3N)c2)[nH]c1C
InChIInChI=1S/C16H16N6O/c1-9-10(2)21-15(20-9)11-4-3-5-12(8-11)22-16(23)13-14(17)19-7-6-18-13/h3-8H,1-2H3,(H2,17,19)(H,20,21)(H,22,23)
InChIKeyZEAOAFCUSPCNPV-UHFFFAOYSA-N
XLogP2.32
TPSA109.58 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.35
LogP ≤ 52.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

3-amino-N-[3-(5-methyl-1,3-oxazol-2-yl)phenyl]pyrazine-2-carboxamide
CID 136524529
3-amino-N-(3-methoxyphenyl)pyrazine-2-carboxamide
CID 46673484
3-amino-N-[3-(1,3-benzothiazol-2-yl)phenyl]pyrazine-2-carboxamide
CID 34290939
1-chloro-3-[3-(4,5-dimethyl-1H-imidazol-2-yl)anilino]propan-2-ol
CID 168639667
3-amino-N-[4-(4,5-dimethyl-1,3-oxazol-2-yl)phenyl]pyrazine-2-carboxamide
CID 136577955
3-amino-N-[4-(4-oxo-3H-quinazolin-2-yl)phenyl]pyrazine-2-carboxamide
CID 137425221
3-amino-N-(2-methyl-1,3-benzoxazol-6-yl)pyrazine-2-carboxamide
CID 86921862
3-amino-N-[2-(dimethylamino)-4-pyridinyl]pyrazine-2-carboxamide
CID 154749790
3-amino-N-[3-[[methyl-(2,2,2-trifluoroacetyl)amino]methyl]phenyl]pyrazine-2-carboxamide
CID 38587212
N-[3-(4,5-dimethyl-1H-imidazol-2-yl)phenyl]-3-(oxan-4-yloxy)propanamide
CID 75425157
N-[3-[(3-fluoro-4-methylbenzoyl)amino]phenyl]-5-methyl-2-phenyl-1H-imidazole-4-carboxamide
CID 166392338
3-amino-N-(2-oxo-3H-1,3-benzoxazol-5-yl)pyrazine-2-carboxamide
CID 38467954

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[3-(4,5-dimethyl-1H-imidazol-2-yl)phenyl]pyrazine-2-carboxamide?
The IUPAC name of 3-amino-N-[3-(4,5-dimethyl-1H-imidazol-2-yl)phenyl]pyrazine-2-carboxamide (CID 75369727) is 3-amino-N-[3-(4,5-dimethyl-1H-imidazol-2-yl)phenyl]pyrazine-2-carboxamide.
What is the SMILES notation for 3-amino-N-[3-(4,5-dimethyl-1H-imidazol-2-yl)phenyl]pyrazine-2-carboxamide?
The canonical SMILES for 3-amino-N-[3-(4,5-dimethyl-1H-imidazol-2-yl)phenyl]pyrazine-2-carboxamide is Cc1nc(-c2cccc(NC(=O)c3nccnc3N)c2)[nH]c1C.
What is the InChIKey of 3-amino-N-[3-(4,5-dimethyl-1H-imidazol-2-yl)phenyl]pyrazine-2-carboxamide?
The InChIKey is ZEAOAFCUSPCNPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N6O/c1-9-10(2)21-15(20-9)11-4-3-5-12(8-11)22-16(23)13-14(17)19-7-6-18-13/h3-8H,1-2H3,(H2,17,19)(H,20,21)(H,22,23).
What are the key properties of 3-amino-N-[3-(4,5-dimethyl-1H-imidazol-2-yl)phenyl]pyrazine-2-carboxamide?
3-amino-N-[3-(4,5-dimethyl-1H-imidazol-2-yl)phenyl]pyrazine-2-carboxamide has a molecular weight of 308.35 g/mol, XLogP of 2.32, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[3-(4,5-dimethyl-1H-imidazol-2-yl)phenyl]pyrazine-2-carboxamide is sourced from PubChem (CID 75369727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).