2-methyl-N-[(1-methylimidazol-2-yl)-phenylmethyl]-6-(trifluoromethyl)pyridine-3-carboxamide

C19H17F3N4O — CID 55595371

IUPAC2-methyl-N-[(1-methylimidazol-2-yl)-phenylmethyl]-6-(trifluoromethyl)pyridine-3-carboxamide
SMILESCc1nc(C(F)(F)F)ccc1C(=O)NC(c1ccccc1)c1nccn1C
InChIInChI=1S/C19H17F3N4O/c1-12-14(8-9-15(24-12)19(20,21)22)18(27)25-16(13-6-4-3-5-7-13)17-23-10-11-26(17)2/h3-11,16H,1-2H3,(H,25,27)
InChIKeyOPWVNZBBOJPLEO-UHFFFAOYSA-N
MW374.37 g/mol
LogP3.66
Rot. Bonds4

About 2-methyl-N-[(1-methylimidazol-2-yl)-phenylmethyl]-6-(trifluoromethyl)pyridine-3-carboxamide

2-methyl-N-[(1-methylimidazol-2-yl)-phenylmethyl]-6-(trifluoromethyl)pyridine-3-carboxamide (PubChem CID 55595371) has the molecular formula C19H17F3N4O and a molecular weight of 374.37 g/mol. Its IUPAC name is 2-methyl-N-[(1-methylimidazol-2-yl)-phenylmethyl]-6-(trifluoromethyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name2-methyl-N-[(1-methylimidazol-2-yl)-phenylmethyl]-6-(trifluoromethyl)pyridine-3-carboxamide
PubChem CID55595371
Molecular FormulaC19H17F3N4O
Molecular Weight374.37 g/mol
Exact Mass374.14
IUPAC Name2-methyl-N-[(1-methylimidazol-2-yl)-phenylmethyl]-6-(trifluoromethyl)pyridine-3-carboxamide
SMILESCc1nc(C(F)(F)F)ccc1C(=O)NC(c1ccccc1)c1nccn1C
InChIInChI=1S/C19H17F3N4O/c1-12-14(8-9-15(24-12)19(20,21)22)18(27)25-16(13-6-4-3-5-7-13)17-23-10-11-26(17)2/h3-11,16H,1-2H3,(H,25,27)
InChIKeyOPWVNZBBOJPLEO-UHFFFAOYSA-N
XLogP3.66
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.37
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2,4-difluoro-N-[(1-methylimidazol-2-yl)-phenylmethyl]benzamide
CID 17406821
N-[(R)-(1-methylimidazol-2-yl)-phenylmethyl]-4-methylsulfonylbenzamide
CID 25339297
3,5-difluoro-N-[(1-methylimidazol-2-yl)-phenylmethyl]benzamide
CID 17495226
3-fluoro-4-methyl-N-[(1-methylimidazol-2-yl)-phenylmethyl]benzamide
CID 17451841
2-(difluoromethoxy)-N-[(R)-(1-methylimidazol-2-yl)-phenylmethyl]benzamide
CID 25339816
3,5-dichloro-N-[(R)-(1-methylimidazol-2-yl)-phenylmethyl]benzamide
CID 40809427
N-[(1-methylimidazol-2-yl)-phenylmethyl]pyridine-3-carboxamide
CID 42924147
N-[(R)-(1-methylimidazol-2-yl)-phenylmethyl]pyridine-3-carboxamide
CID 31356933
3,5-dimethyl-N-[(1-methylimidazol-2-yl)-phenylmethyl]-1,2-oxazole-4-carboxamide
CID 75459863
4-(difluoromethoxy)-N-[(S)-(1-methylimidazol-2-yl)-phenylmethyl]benzamide
CID 25324448
N-[(1-methylimidazol-2-yl)-phenylmethyl]-4-[methyl(propan-2-yl)sulfamoyl]benzamide
CID 46696472
2-methyl-N-[(R)-(1-methylimidazol-2-yl)-phenylmethyl]-5-piperidin-1-ylsulfonylbenzamide
CID 25468462

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[(1-methylimidazol-2-yl)-phenylmethyl]-6-(trifluoromethyl)pyridine-3-carboxamide?
The IUPAC name of 2-methyl-N-[(1-methylimidazol-2-yl)-phenylmethyl]-6-(trifluoromethyl)pyridine-3-carboxamide (CID 55595371) is 2-methyl-N-[(1-methylimidazol-2-yl)-phenylmethyl]-6-(trifluoromethyl)pyridine-3-carboxamide.
What is the SMILES notation for 2-methyl-N-[(1-methylimidazol-2-yl)-phenylmethyl]-6-(trifluoromethyl)pyridine-3-carboxamide?
The canonical SMILES for 2-methyl-N-[(1-methylimidazol-2-yl)-phenylmethyl]-6-(trifluoromethyl)pyridine-3-carboxamide is Cc1nc(C(F)(F)F)ccc1C(=O)NC(c1ccccc1)c1nccn1C.
What is the InChIKey of 2-methyl-N-[(1-methylimidazol-2-yl)-phenylmethyl]-6-(trifluoromethyl)pyridine-3-carboxamide?
The InChIKey is OPWVNZBBOJPLEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17F3N4O/c1-12-14(8-9-15(24-12)19(20,21)22)18(27)25-16(13-6-4-3-5-7-13)17-23-10-11-26(17)2/h3-11,16H,1-2H3,(H,25,27).
What are the key properties of 2-methyl-N-[(1-methylimidazol-2-yl)-phenylmethyl]-6-(trifluoromethyl)pyridine-3-carboxamide?
2-methyl-N-[(1-methylimidazol-2-yl)-phenylmethyl]-6-(trifluoromethyl)pyridine-3-carboxamide has a molecular weight of 374.37 g/mol, XLogP of 3.66, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[(1-methylimidazol-2-yl)-phenylmethyl]-6-(trifluoromethyl)pyridine-3-carboxamide is sourced from PubChem (CID 55595371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).