N-[(3-fluorophenyl)methyl]-3-(2-methylimidazo[4,5-b]pyridin-3-yl)benzamide

C21H17FN4O — CID 20916290

IUPACN-[(3-fluorophenyl)methyl]-3-(2-methylimidazo[4,5-b]pyridin-3-yl)benzamide
SMILESCc1nc2cccnc2n1-c1cccc(C(=O)NCc2cccc(F)c2)c1
InChIInChI=1S/C21H17FN4O/c1-14-25-19-9-4-10-23-20(19)26(14)18-8-3-6-16(12-18)21(27)24-13-15-5-2-7-17(22)11-15/h2-12H,13H2,1H3,(H,24,27)
InChIKeyYWRGYHAQVVZZCP-UHFFFAOYSA-N
MW360.39 g/mol
LogP3.80
Rot. Bonds4

About N-[(3-fluorophenyl)methyl]-3-(2-methylimidazo[4,5-b]pyridin-3-yl)benzamide

N-[(3-fluorophenyl)methyl]-3-(2-methylimidazo[4,5-b]pyridin-3-yl)benzamide (PubChem CID 20916290) has the molecular formula C21H17FN4O and a molecular weight of 360.39 g/mol. Its IUPAC name is N-[(3-fluorophenyl)methyl]-3-(2-methylimidazo[4,5-b]pyridin-3-yl)benzamide.

Molecular Properties

Compound NameN-[(3-fluorophenyl)methyl]-3-(2-methylimidazo[4,5-b]pyridin-3-yl)benzamide
PubChem CID20916290
Molecular FormulaC21H17FN4O
Molecular Weight360.39 g/mol
Exact Mass360.14
IUPAC NameN-[(3-fluorophenyl)methyl]-3-(2-methylimidazo[4,5-b]pyridin-3-yl)benzamide
SMILESCc1nc2cccnc2n1-c1cccc(C(=O)NCc2cccc(F)c2)c1
InChIInChI=1S/C21H17FN4O/c1-14-25-19-9-4-10-23-20(19)26(14)18-8-3-6-16(12-18)21(27)24-13-15-5-2-7-17(22)11-15/h2-12H,13H2,1H3,(H,24,27)
InChIKeyYWRGYHAQVVZZCP-UHFFFAOYSA-N
XLogP3.80
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.39
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-benzyl-3-(2-methylimidazo[4,5-b]pyridin-3-yl)benzamide
CID 20916242
3-(2-methylimidazo[4,5-b]pyridin-3-yl)-N-[(4-methylphenyl)methyl]benzamide
CID 20916253
3-(2-methylimidazo[4,5-b]pyridin-3-yl)-N-(thiophen-2-ylmethyl)benzamide
CID 20916275
3-(2-methylimidazo[4,5-b]pyridin-3-yl)-N-(2-pyrrolidin-1-ylethyl)benzamide
CID 46277271
3-(3-methylimidazo[4,5-b]pyridin-2-yl)-N-[(3-methylphenyl)methyl]benzamide
CID 53148817
N-[(1,2-dimethylbenzimidazol-5-yl)methyl]-3-fluorobenzamide
CID 110785961
3-[4-(2-methylimidazo[4,5-b]pyridin-3-yl)phenyl]-N-[(3-methylphenyl)methyl]propanamide
CID 46277233
4-[[3-[(3-fluorophenyl)methyl]imidazo[4,5-b]pyridin-2-yl]sulfanylmethyl]-N-[(4-methylphenyl)methyl]benzamide
CID 20908305
2-N,4-N-bis[(3-fluorophenyl)methyl]pyridine-2,4-dicarboxamide
CID 10293185
3-(4-fluorophenyl)-2-methylimidazo[4,5-b]pyridine
CID 14119097
N-[2-(3-ethylimidazo[4,5-b]pyridin-2-yl)ethyl]-3-fluorobenzamide
CID 71842734
N-[(3-fluorophenyl)methyl]-1-methyl-6-oxo-5-pyridin-2-ylpyridine-3-carboxamide
CID 160904999

Frequently Asked Questions

What is the IUPAC name of N-[(3-fluorophenyl)methyl]-3-(2-methylimidazo[4,5-b]pyridin-3-yl)benzamide?
The IUPAC name of N-[(3-fluorophenyl)methyl]-3-(2-methylimidazo[4,5-b]pyridin-3-yl)benzamide (CID 20916290) is N-[(3-fluorophenyl)methyl]-3-(2-methylimidazo[4,5-b]pyridin-3-yl)benzamide.
What is the SMILES notation for N-[(3-fluorophenyl)methyl]-3-(2-methylimidazo[4,5-b]pyridin-3-yl)benzamide?
The canonical SMILES for N-[(3-fluorophenyl)methyl]-3-(2-methylimidazo[4,5-b]pyridin-3-yl)benzamide is Cc1nc2cccnc2n1-c1cccc(C(=O)NCc2cccc(F)c2)c1.
What is the InChIKey of N-[(3-fluorophenyl)methyl]-3-(2-methylimidazo[4,5-b]pyridin-3-yl)benzamide?
The InChIKey is YWRGYHAQVVZZCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17FN4O/c1-14-25-19-9-4-10-23-20(19)26(14)18-8-3-6-16(12-18)21(27)24-13-15-5-2-7-17(22)11-15/h2-12H,13H2,1H3,(H,24,27).
What are the key properties of N-[(3-fluorophenyl)methyl]-3-(2-methylimidazo[4,5-b]pyridin-3-yl)benzamide?
N-[(3-fluorophenyl)methyl]-3-(2-methylimidazo[4,5-b]pyridin-3-yl)benzamide has a molecular weight of 360.39 g/mol, XLogP of 3.80, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-fluorophenyl)methyl]-3-(2-methylimidazo[4,5-b]pyridin-3-yl)benzamide is sourced from PubChem (CID 20916290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).