3-(6-amino-2-pyridinyl)-N-[[3-(2-methylpropyl)imidazol-4-yl]methyl]benzamide

C20H23N5O — CID 119070135

IUPAC3-(6-amino-2-pyridinyl)-N-[[3-(2-methylpropyl)imidazol-4-yl]methyl]benzamide
SMILESCC(C)Cn1cncc1CNC(=O)c1cccc(-c2cccc(N)n2)c1
InChIInChI=1S/C20H23N5O/c1-14(2)12-25-13-22-10-17(25)11-23-20(26)16-6-3-5-15(9-16)18-7-4-8-19(21)24-18/h3-10,13-14H,11-12H2,1-2H3,(H2,21,24)(H,23,26)
InChIKeyHLBSUSSVCFWYMW-UHFFFAOYSA-N
MW349.44 g/mol
LogP3.11
Rot. Bonds6

About 3-(6-amino-2-pyridinyl)-N-[[3-(2-methylpropyl)imidazol-4-yl]methyl]benzamide

3-(6-amino-2-pyridinyl)-N-[[3-(2-methylpropyl)imidazol-4-yl]methyl]benzamide (PubChem CID 119070135) has the molecular formula C20H23N5O and a molecular weight of 349.44 g/mol. Its IUPAC name is 3-(6-amino-2-pyridinyl)-N-[[3-(2-methylpropyl)imidazol-4-yl]methyl]benzamide.

Molecular Properties

Compound Name3-(6-amino-2-pyridinyl)-N-[[3-(2-methylpropyl)imidazol-4-yl]methyl]benzamide
PubChem CID119070135
Molecular FormulaC20H23N5O
Molecular Weight349.44 g/mol
Exact Mass349.19
IUPAC Name3-(6-amino-2-pyridinyl)-N-[[3-(2-methylpropyl)imidazol-4-yl]methyl]benzamide
SMILESCC(C)Cn1cncc1CNC(=O)c1cccc(-c2cccc(N)n2)c1
InChIInChI=1S/C20H23N5O/c1-14(2)12-25-13-22-10-17(25)11-23-20(26)16-6-3-5-15(9-16)18-7-4-8-19(21)24-18/h3-10,13-14H,11-12H2,1-2H3,(H2,21,24)(H,23,26)
InChIKeyHLBSUSSVCFWYMW-UHFFFAOYSA-N
XLogP3.11
TPSA85.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.44
LogP ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-(6-methoxypyridazin-3-yl)-N-[[3-(2-methylpropyl)imidazol-4-yl]methyl]benzamide
CID 118763050
3-(2,5-dimethyl-1H-imidazol-4-yl)-N-[[3-(2-methylpropyl)imidazol-4-yl]methyl]benzamide;formic acid
CID 154908951
3-[5-(dimethylamino)-1-ethyl-1,2,4-triazol-3-yl]-N-[(3-ethylimidazol-4-yl)methyl]benzamide
CID 122557122
3-hydroxy-N-[[3-(2-methylpropyl)imidazol-4-yl]methyl]pyridine-4-carboxamide
CID 90649146
6-fluoro-2-methyl-N-[[3-(2-methylpropyl)imidazol-4-yl]methyl]quinoline-4-carboxamide
CID 131894201
1-[3-(3-methyl-2-oxoimidazolidin-1-yl)phenyl]-3-[[3-(2-methylpropyl)imidazol-4-yl]methyl]urea
CID 91838916
N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-3-[6-[(1S)-1-hydroxyethyl]-2-pyridinyl]benzamide
CID 125448562
4-(methoxymethyl)-5-methyl-N-[[3-(2-methylpropyl)imidazol-4-yl]methyl]-1,2-oxazole-3-carboxamide
CID 118781171
6-methyl-N-[[3-(2-methylpropyl)imidazol-4-yl]methyl]-2-oxo-4-pyridin-3-yl-3,4-dihydro-1H-pyrimidine-5-carboxamide
CID 56702277
N-[[3-(2-methylpropyl)imidazol-4-yl]methyl]-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
CID 90651733
3-(azocan-1-yl)-N-[[3-(2-methylpropyl)imidazol-4-yl]methyl]propanamide
CID 131916605
N-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-ylmethyl)-3-[6-[(1S)-1-hydroxyethyl]-2-pyridinyl]benzamide
CID 125437509

Frequently Asked Questions

What is the IUPAC name of 3-(6-amino-2-pyridinyl)-N-[[3-(2-methylpropyl)imidazol-4-yl]methyl]benzamide?
The IUPAC name of 3-(6-amino-2-pyridinyl)-N-[[3-(2-methylpropyl)imidazol-4-yl]methyl]benzamide (CID 119070135) is 3-(6-amino-2-pyridinyl)-N-[[3-(2-methylpropyl)imidazol-4-yl]methyl]benzamide.
What is the SMILES notation for 3-(6-amino-2-pyridinyl)-N-[[3-(2-methylpropyl)imidazol-4-yl]methyl]benzamide?
The canonical SMILES for 3-(6-amino-2-pyridinyl)-N-[[3-(2-methylpropyl)imidazol-4-yl]methyl]benzamide is CC(C)Cn1cncc1CNC(=O)c1cccc(-c2cccc(N)n2)c1.
What is the InChIKey of 3-(6-amino-2-pyridinyl)-N-[[3-(2-methylpropyl)imidazol-4-yl]methyl]benzamide?
The InChIKey is HLBSUSSVCFWYMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N5O/c1-14(2)12-25-13-22-10-17(25)11-23-20(26)16-6-3-5-15(9-16)18-7-4-8-19(21)24-18/h3-10,13-14H,11-12H2,1-2H3,(H2,21,24)(H,23,26).
What are the key properties of 3-(6-amino-2-pyridinyl)-N-[[3-(2-methylpropyl)imidazol-4-yl]methyl]benzamide?
3-(6-amino-2-pyridinyl)-N-[[3-(2-methylpropyl)imidazol-4-yl]methyl]benzamide has a molecular weight of 349.44 g/mol, XLogP of 3.11, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-amino-2-pyridinyl)-N-[[3-(2-methylpropyl)imidazol-4-yl]methyl]benzamide is sourced from PubChem (CID 119070135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).