N-[2-(2-methylanilino)-5-(methylcarbamoyl)-3-pyridinyl]-5-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxamide

C23H19F3N6O2 — CID 176510121

IUPACN-[2-(2-methylanilino)-5-(methylcarbamoyl)-3-pyridinyl]-5-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxamide
SMILESCNC(=O)c1cnc(Nc2ccccc2C)c(NC(=O)c2cn3c(C(F)(F)F)cccc3n2)c1
InChIInChI=1S/C23H19F3N6O2/c1-13-6-3-4-7-15(13)30-20-16(10-14(11-28-20)21(33)27-2)31-22(34)17-12-32-18(23(24,25)26)8-5-9-19(32)29-17/h3-12H,1-2H3,(H,27,33)(H,28,30)(H,31,34)
InChIKeyGOEVENXCCXNLDO-UHFFFAOYSA-N
MW468.44 g/mol
LogP4.41
Rot. Bonds5

About N-[2-(2-methylanilino)-5-(methylcarbamoyl)-3-pyridinyl]-5-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxamide

N-[2-(2-methylanilino)-5-(methylcarbamoyl)-3-pyridinyl]-5-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxamide (PubChem CID 176510121) has the molecular formula C23H19F3N6O2 and a molecular weight of 468.44 g/mol. Its IUPAC name is N-[2-(2-methylanilino)-5-(methylcarbamoyl)-3-pyridinyl]-5-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[2-(2-methylanilino)-5-(methylcarbamoyl)-3-pyridinyl]-5-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxamide
PubChem CID176510121
Molecular FormulaC23H19F3N6O2
Molecular Weight468.44 g/mol
Exact Mass468.15
IUPAC NameN-[2-(2-methylanilino)-5-(methylcarbamoyl)-3-pyridinyl]-5-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxamide
SMILESCNC(=O)c1cnc(Nc2ccccc2C)c(NC(=O)c2cn3c(C(F)(F)F)cccc3n2)c1
InChIInChI=1S/C23H19F3N6O2/c1-13-6-3-4-7-15(13)30-20-16(10-14(11-28-20)21(33)27-2)31-22(34)17-12-32-18(23(24,25)26)8-5-9-19(32)29-17/h3-12H,1-2H3,(H,27,33)(H,28,30)(H,31,34)
InChIKeyGOEVENXCCXNLDO-UHFFFAOYSA-N
XLogP4.41
TPSA100.42 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.44
LogP ≤ 54.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

3-methyl-N-[2-(2-methylanilino)-5-(methylcarbamoyl)-3-pyridinyl]imidazo[1,2-a]pyridine-2-carboxamide
CID 176510148
5-[(4-fluoro-3,5-dimethylbenzoyl)amino]-N-methyl-6-(2-methylanilino)pyridine-3-carboxamide
CID 167512340
4-methyl-N-[2-(2-methylanilino)-5-(methylcarbamoyl)-3-pyridinyl]quinoline-2-carboxamide
CID 176510143
8-chloro-N-[2-(2-methylanilino)-5-(methylcarbamoyl)-3-pyridinyl]indolizine-2-carboxamide
CID 176510169
ethane;3-methyl-N-[2-(2-methylanilino)-5-(methylcarbamoyl)-3-pyridinyl]isoquinoline-1-carboxamide
CID 167512246
5-[[2-ethenyl-4-fluoro-3-[(Z)-prop-1-enyl]-1,2-dihydroimidazole-5-carbonyl]amino]-N-methyl-6-(2-methylanilino)pyridine-3-carboxamide
CID 167512347
5-[[3-fluoro-5-(trifluoromethyl)benzoyl]amino]-6-(2-methylanilino)-N-(1-methylpyrazol-4-yl)pyridine-3-carboxamide
CID 167512259
5-bromo-N-[2-(2-methylanilino)-5-(methylcarbamoyl)-3-pyridinyl]-1H-indazole-3-carboxamide
CID 176510201
N-methyl-6-(2-methylanilino)-5-(2-phenylhex-4-ynoylamino)pyridine-3-carboxamide
CID 176510162
6-(3-fluoro-2-methoxyanilino)-5-[[3-fluoro-5-(trifluoromethyl)benzoyl]amino]-N-methylpyridine-3-carboxamide
CID 167512453
5-[[3-fluoro-5-(trifluoromethyl)benzoyl]amino]-6-(2-methylanilino)-N-(1,3-oxazol-4-ylmethyl)pyridine-3-carboxamide
CID 167512349
5-[[3-fluoro-5-(trifluoromethyl)benzoyl]amino]-6-(2-methylanilino)-N-[(3R)-1-methylpyrrolidin-3-yl]pyridine-3-carboxamide
CID 167512267

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-methylanilino)-5-(methylcarbamoyl)-3-pyridinyl]-5-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxamide?
The IUPAC name of N-[2-(2-methylanilino)-5-(methylcarbamoyl)-3-pyridinyl]-5-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxamide (CID 176510121) is N-[2-(2-methylanilino)-5-(methylcarbamoyl)-3-pyridinyl]-5-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxamide.
What is the SMILES notation for N-[2-(2-methylanilino)-5-(methylcarbamoyl)-3-pyridinyl]-5-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxamide?
The canonical SMILES for N-[2-(2-methylanilino)-5-(methylcarbamoyl)-3-pyridinyl]-5-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxamide is CNC(=O)c1cnc(Nc2ccccc2C)c(NC(=O)c2cn3c(C(F)(F)F)cccc3n2)c1.
What is the InChIKey of N-[2-(2-methylanilino)-5-(methylcarbamoyl)-3-pyridinyl]-5-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxamide?
The InChIKey is GOEVENXCCXNLDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19F3N6O2/c1-13-6-3-4-7-15(13)30-20-16(10-14(11-28-20)21(33)27-2)31-22(34)17-12-32-18(23(24,25)26)8-5-9-19(32)29-17/h3-12H,1-2H3,(H,27,33)(H,28,30)(H,31,34).
What are the key properties of N-[2-(2-methylanilino)-5-(methylcarbamoyl)-3-pyridinyl]-5-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxamide?
N-[2-(2-methylanilino)-5-(methylcarbamoyl)-3-pyridinyl]-5-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxamide has a molecular weight of 468.44 g/mol, XLogP of 4.41, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-methylanilino)-5-(methylcarbamoyl)-3-pyridinyl]-5-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxamide is sourced from PubChem (CID 176510121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).