6-(aminomethyl)-N-[1-[(3-methylphenyl)methyl]imidazol-4-yl]pyridine-3-carboxamide

C18H19N5O — CID 129224371

IUPAC6-(aminomethyl)-N-[1-[(3-methylphenyl)methyl]imidazol-4-yl]pyridine-3-carboxamide
SMILESCc1cccc(Cn2cnc(NC(=O)c3ccc(CN)nc3)c2)c1
InChIInChI=1S/C18H19N5O/c1-13-3-2-4-14(7-13)10-23-11-17(21-12-23)22-18(24)15-5-6-16(8-19)20-9-15/h2-7,9,11-12H,8,10,19H2,1H3,(H,22,24)
InChIKeyLWGRUDQKBJYCTF-UHFFFAOYSA-N
MW321.38 g/mol
LogP2.35
Rot. Bonds5

About 6-(aminomethyl)-N-[1-[(3-methylphenyl)methyl]imidazol-4-yl]pyridine-3-carboxamide

6-(aminomethyl)-N-[1-[(3-methylphenyl)methyl]imidazol-4-yl]pyridine-3-carboxamide (PubChem CID 129224371) has the molecular formula C18H19N5O and a molecular weight of 321.38 g/mol. Its IUPAC name is 6-(aminomethyl)-N-[1-[(3-methylphenyl)methyl]imidazol-4-yl]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-(aminomethyl)-N-[1-[(3-methylphenyl)methyl]imidazol-4-yl]pyridine-3-carboxamide
PubChem CID129224371
Molecular FormulaC18H19N5O
Molecular Weight321.38 g/mol
Exact Mass321.16
IUPAC Name6-(aminomethyl)-N-[1-[(3-methylphenyl)methyl]imidazol-4-yl]pyridine-3-carboxamide
SMILESCc1cccc(Cn2cnc(NC(=O)c3ccc(CN)nc3)c2)c1
InChIInChI=1S/C18H19N5O/c1-13-3-2-4-14(7-13)10-23-11-17(21-12-23)22-18(24)15-5-6-16(8-19)20-9-15/h2-7,9,11-12H,8,10,19H2,1H3,(H,22,24)
InChIKeyLWGRUDQKBJYCTF-UHFFFAOYSA-N
XLogP2.35
TPSA85.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.38
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

6-[[methyl-(2-nitrophenyl)sulfonylamino]methyl]-N-[1-[(3-methylphenyl)methyl]imidazol-4-yl]pyridine-3-carboxamide
CID 129224311
6-(1,2-dihydroxyethyl)-5-fluoro-N-[1-[(3-methylphenyl)methyl]imidazol-4-yl]pyridine-3-carboxamide
CID 129224342
2-methyl-N-[1-[(3-methylphenyl)methyl]imidazol-4-yl]-3,4-dihydro-1H-isoquinoline-6-carboxamide
CID 135209368
(E)-3-(3-methylphenyl)-N-[1-[(3-methylphenyl)methyl]imidazol-4-yl]prop-2-enamide
CID 159880450
tert-butyl 4,4-dimethyl-6-[[1-[(3-methylphenyl)methyl]imidazol-4-yl]carbamoyl]-1,3-dihydroisoquinoline-2-carboxylate
CID 135209334
N-[1-[(3-chlorophenyl)methyl]imidazol-4-yl]-4-methylsulfonylbenzamide
CID 130384064
N-[1-[(3-chlorophenyl)methyl]imidazol-4-yl]pyridine-4-carboxamide
CID 130384069
N-[1-[(3-methylphenyl)methyl]imidazol-4-yl]-4,5,6,7-tetrahydro-[1,3]thiazolo[4,5-c]pyridine-2-carboxamide
CID 135209359
2-[1-[(3-methylphenyl)methyl]imidazol-4-yl]ethanamine
CID 79983345
N-[1-[(3-chlorophenyl)methyl]imidazol-4-yl]-1H-pyrrole-3-carboxamide
CID 130384067
3,4-dimethoxy-N-[1-[(3-phenoxyphenyl)methyl]imidazol-4-yl]benzamide
CID 130384416
N-[1-[(3-chlorophenyl)methyl]imidazol-4-yl]acetamide
CID 159939674

Frequently Asked Questions

What is the IUPAC name of 6-(aminomethyl)-N-[1-[(3-methylphenyl)methyl]imidazol-4-yl]pyridine-3-carboxamide?
The IUPAC name of 6-(aminomethyl)-N-[1-[(3-methylphenyl)methyl]imidazol-4-yl]pyridine-3-carboxamide (CID 129224371) is 6-(aminomethyl)-N-[1-[(3-methylphenyl)methyl]imidazol-4-yl]pyridine-3-carboxamide.
What is the SMILES notation for 6-(aminomethyl)-N-[1-[(3-methylphenyl)methyl]imidazol-4-yl]pyridine-3-carboxamide?
The canonical SMILES for 6-(aminomethyl)-N-[1-[(3-methylphenyl)methyl]imidazol-4-yl]pyridine-3-carboxamide is Cc1cccc(Cn2cnc(NC(=O)c3ccc(CN)nc3)c2)c1.
What is the InChIKey of 6-(aminomethyl)-N-[1-[(3-methylphenyl)methyl]imidazol-4-yl]pyridine-3-carboxamide?
The InChIKey is LWGRUDQKBJYCTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N5O/c1-13-3-2-4-14(7-13)10-23-11-17(21-12-23)22-18(24)15-5-6-16(8-19)20-9-15/h2-7,9,11-12H,8,10,19H2,1H3,(H,22,24).
What are the key properties of 6-(aminomethyl)-N-[1-[(3-methylphenyl)methyl]imidazol-4-yl]pyridine-3-carboxamide?
6-(aminomethyl)-N-[1-[(3-methylphenyl)methyl]imidazol-4-yl]pyridine-3-carboxamide has a molecular weight of 321.38 g/mol, XLogP of 2.35, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(aminomethyl)-N-[1-[(3-methylphenyl)methyl]imidazol-4-yl]pyridine-3-carboxamide is sourced from PubChem (CID 129224371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).