N-[[4-(1-aminoethyl)phenyl]methyl]-6-imidazol-1-ylpyrazine-2-carboxamide

C17H18N6O — CID 166363145

IUPACN-[[4-(1-aminoethyl)phenyl]methyl]-6-imidazol-1-ylpyrazine-2-carboxamide
SMILESCC(N)c1ccc(CNC(=O)c2cncc(-n3ccnc3)n2)cc1
InChIInChI=1S/C17H18N6O/c1-12(18)14-4-2-13(3-5-14)8-21-17(24)15-9-20-10-16(22-15)23-7-6-19-11-23/h2-7,9-12H,8,18H2,1H3,(H,21,24)
InChIKeyVLEDZCLAZLNYHI-UHFFFAOYSA-N
MW322.37 g/mol
LogP1.61
Rot. Bonds5

About N-[[4-(1-aminoethyl)phenyl]methyl]-6-imidazol-1-ylpyrazine-2-carboxamide

N-[[4-(1-aminoethyl)phenyl]methyl]-6-imidazol-1-ylpyrazine-2-carboxamide (PubChem CID 166363145) has the molecular formula C17H18N6O and a molecular weight of 322.37 g/mol. Its IUPAC name is N-[[4-(1-aminoethyl)phenyl]methyl]-6-imidazol-1-ylpyrazine-2-carboxamide.

Molecular Properties

Compound NameN-[[4-(1-aminoethyl)phenyl]methyl]-6-imidazol-1-ylpyrazine-2-carboxamide
PubChem CID166363145
Molecular FormulaC17H18N6O
Molecular Weight322.37 g/mol
Exact Mass322.15
IUPAC NameN-[[4-(1-aminoethyl)phenyl]methyl]-6-imidazol-1-ylpyrazine-2-carboxamide
SMILESCC(N)c1ccc(CNC(=O)c2cncc(-n3ccnc3)n2)cc1
InChIInChI=1S/C17H18N6O/c1-12(18)14-4-2-13(3-5-14)8-21-17(24)15-9-20-10-16(22-15)23-7-6-19-11-23/h2-7,9-12H,8,18H2,1H3,(H,21,24)
InChIKeyVLEDZCLAZLNYHI-UHFFFAOYSA-N
XLogP1.61
TPSA98.72 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.37
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-[[4-(1-aminoethyl)phenyl]methyl]-6-imidazol-1-ylpyrazine-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-imidazol-1-yl-N-propan-2-ylpyrazine-2-carboxamide
CID 166095150
6-imidazol-1-yl-N-[(4-methylphenyl)methyl]pyridazine-3-carboxamide
CID 121114057
N-[[4-[(1R)-1-aminoethyl]phenyl]methyl]-6-pyridin-4-ylpyridine-3-carboxamide
CID 155966958
N-cyclohexyl-6-imidazol-1-ylpyrazine-2-carboxamide;difluoromethane;molecular hydrogen
CID 166481425
1-(4-imidazol-1-ylphenyl)ethanamine;dihydrochloride
CID 91654248
4-imidazol-1-yl-N-[(4-methoxyphenyl)methyl]benzamide
CID 31533303
N-[(4-imidazol-1-ylphenyl)methyl]pyridine-3-carboxamide
CID 53159079
2-(4-chlorophenyl)-N-[(6-imidazol-1-yl-3-pyridinyl)methyl]-1,3-thiazole-4-carboxamide
CID 38772567
1-[(4-fluorophenyl)methyl]-3-[(6-imidazol-1-yl-3-pyridinyl)methyl]urea
CID 38205199
N-[(4-chlorophenyl)methyl]-2-imidazol-1-ylquinoline-4-carboxamide
CID 175093901
2-imidazol-1-yl-N-[(4-pyrrolidin-1-ylphenyl)methyl]pyridine-4-carboxamide
CID 51085922
4-amino-N-[(3-fluoro-4-imidazol-1-ylphenyl)methyl]pentanamide;dihydrochloride
CID 120564989

Frequently Asked Questions

What is the IUPAC name of N-[[4-(1-aminoethyl)phenyl]methyl]-6-imidazol-1-ylpyrazine-2-carboxamide?
The IUPAC name of N-[[4-(1-aminoethyl)phenyl]methyl]-6-imidazol-1-ylpyrazine-2-carboxamide (CID 166363145) is N-[[4-(1-aminoethyl)phenyl]methyl]-6-imidazol-1-ylpyrazine-2-carboxamide.
What is the SMILES notation for N-[[4-(1-aminoethyl)phenyl]methyl]-6-imidazol-1-ylpyrazine-2-carboxamide?
The canonical SMILES for N-[[4-(1-aminoethyl)phenyl]methyl]-6-imidazol-1-ylpyrazine-2-carboxamide is CC(N)c1ccc(CNC(=O)c2cncc(-n3ccnc3)n2)cc1.
What is the InChIKey of N-[[4-(1-aminoethyl)phenyl]methyl]-6-imidazol-1-ylpyrazine-2-carboxamide?
The InChIKey is VLEDZCLAZLNYHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N6O/c1-12(18)14-4-2-13(3-5-14)8-21-17(24)15-9-20-10-16(22-15)23-7-6-19-11-23/h2-7,9-12H,8,18H2,1H3,(H,21,24).
What are the key properties of N-[[4-(1-aminoethyl)phenyl]methyl]-6-imidazol-1-ylpyrazine-2-carboxamide?
N-[[4-(1-aminoethyl)phenyl]methyl]-6-imidazol-1-ylpyrazine-2-carboxamide has a molecular weight of 322.37 g/mol, XLogP of 1.61, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(1-aminoethyl)phenyl]methyl]-6-imidazol-1-ylpyrazine-2-carboxamide is sourced from PubChem (CID 166363145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).