4,6-difluoro-N-[4-methyl-3-(pyridin-3-ylcarbamoyl)phenyl]-1H-indole-2-carboxamide

C22H16F2N4O2 — CID 68845952

IUPAC4,6-difluoro-N-[4-methyl-3-(pyridin-3-ylcarbamoyl)phenyl]-1H-indole-2-carboxamide
SMILESCc1ccc(NC(=O)c2cc3c(F)cc(F)cc3[nH]2)cc1C(=O)Nc1cccnc1
InChIInChI=1S/C22H16F2N4O2/c1-12-4-5-14(9-16(12)21(29)27-15-3-2-6-25-11-15)26-22(30)20-10-17-18(24)7-13(23)8-19(17)28-20/h2-11,28H,1H3,(H,26,30)(H,27,29)
InChIKeyBQOKMZBXUFGPHJ-UHFFFAOYSA-N
MW406.39 g/mol
LogP4.65
Rot. Bonds4

About 4,6-difluoro-N-[4-methyl-3-(pyridin-3-ylcarbamoyl)phenyl]-1H-indole-2-carboxamide

4,6-difluoro-N-[4-methyl-3-(pyridin-3-ylcarbamoyl)phenyl]-1H-indole-2-carboxamide (PubChem CID 68845952) has the molecular formula C22H16F2N4O2 and a molecular weight of 406.39 g/mol. Its IUPAC name is 4,6-difluoro-N-[4-methyl-3-(pyridin-3-ylcarbamoyl)phenyl]-1H-indole-2-carboxamide.

Molecular Properties

Compound Name4,6-difluoro-N-[4-methyl-3-(pyridin-3-ylcarbamoyl)phenyl]-1H-indole-2-carboxamide
PubChem CID68845952
Molecular FormulaC22H16F2N4O2
Molecular Weight406.39 g/mol
Exact Mass406.12
IUPAC Name4,6-difluoro-N-[4-methyl-3-(pyridin-3-ylcarbamoyl)phenyl]-1H-indole-2-carboxamide
SMILESCc1ccc(NC(=O)c2cc3c(F)cc(F)cc3[nH]2)cc1C(=O)Nc1cccnc1
InChIInChI=1S/C22H16F2N4O2/c1-12-4-5-14(9-16(12)21(29)27-15-3-2-6-25-11-15)26-22(30)20-10-17-18(24)7-13(23)8-19(17)28-20/h2-11,28H,1H3,(H,26,30)(H,27,29)
InChIKeyBQOKMZBXUFGPHJ-UHFFFAOYSA-N
XLogP4.65
TPSA86.88 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.39
LogP ≤ 54.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

5-[(3-iodobenzoyl)amino]-2-methyl-N-pyridin-3-ylbenzamide
CID 68848540
5-[(4-ethoxybenzoyl)amino]-2-methyl-N-pyridin-3-ylbenzamide
CID 68847824
5-[(3-bromobenzoyl)amino]-2-fluoro-N-pyridin-3-ylbenzamide
CID 68847958
[3-[[4-methyl-3-(pyridin-3-ylcarbamoyl)phenyl]carbamoyl]phenyl]methanesulfinic acid
CID 174551507
5-fluoro-N-(3-methyl-4-pyridin-3-yloxyphenyl)-1H-indole-2-carboxamide
CID 60581236
2-tert-butyl-5-methyl-N-[4-methyl-3-(pyridin-3-ylcarbamoyl)phenyl]pyrazole-3-carboxamide
CID 68846434
[3-[[4-methyl-3-(pyridin-3-ylcarbamoyl)phenyl]carbamoyl]phenyl]methanesulfinate
CID 174551506
2-bromo-5-fluoro-N-pyridin-3-ylbenzamide
CID 24699857
N-(4-fluorophenyl)-4,6-dimethyl-1H-indole-2-carboxamide
CID 46669157
N-(3-fluoro-4-methylphenyl)-3-hydrazinylpyridine-4-carboxamide
CID 105071773
5-[[3-(azetidin-1-ylsulfonyl)benzoyl]amino]-2-methyl-N-pyridin-3-ylbenzamide
CID 68848168
N-(3-amino-4-methylphenyl)-3-fluoropyridine-4-carboxamide
CID 64950847

Frequently Asked Questions

What is the IUPAC name of 4,6-difluoro-N-[4-methyl-3-(pyridin-3-ylcarbamoyl)phenyl]-1H-indole-2-carboxamide?
The IUPAC name of 4,6-difluoro-N-[4-methyl-3-(pyridin-3-ylcarbamoyl)phenyl]-1H-indole-2-carboxamide (CID 68845952) is 4,6-difluoro-N-[4-methyl-3-(pyridin-3-ylcarbamoyl)phenyl]-1H-indole-2-carboxamide.
What is the SMILES notation for 4,6-difluoro-N-[4-methyl-3-(pyridin-3-ylcarbamoyl)phenyl]-1H-indole-2-carboxamide?
The canonical SMILES for 4,6-difluoro-N-[4-methyl-3-(pyridin-3-ylcarbamoyl)phenyl]-1H-indole-2-carboxamide is Cc1ccc(NC(=O)c2cc3c(F)cc(F)cc3[nH]2)cc1C(=O)Nc1cccnc1.
What is the InChIKey of 4,6-difluoro-N-[4-methyl-3-(pyridin-3-ylcarbamoyl)phenyl]-1H-indole-2-carboxamide?
The InChIKey is BQOKMZBXUFGPHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16F2N4O2/c1-12-4-5-14(9-16(12)21(29)27-15-3-2-6-25-11-15)26-22(30)20-10-17-18(24)7-13(23)8-19(17)28-20/h2-11,28H,1H3,(H,26,30)(H,27,29).
What are the key properties of 4,6-difluoro-N-[4-methyl-3-(pyridin-3-ylcarbamoyl)phenyl]-1H-indole-2-carboxamide?
4,6-difluoro-N-[4-methyl-3-(pyridin-3-ylcarbamoyl)phenyl]-1H-indole-2-carboxamide has a molecular weight of 406.39 g/mol, XLogP of 4.65, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-difluoro-N-[4-methyl-3-(pyridin-3-ylcarbamoyl)phenyl]-1H-indole-2-carboxamide is sourced from PubChem (CID 68845952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).