5-fluoro-N-(3-methyl-4-pyridin-3-yloxyphenyl)-1H-indole-2-carboxamide

C21H16FN3O2 — CID 60581236

IUPAC5-fluoro-N-(3-methyl-4-pyridin-3-yloxyphenyl)-1H-indole-2-carboxamide
SMILESCc1cc(NC(=O)c2cc3cc(F)ccc3[nH]2)ccc1Oc1cccnc1
InChIInChI=1S/C21H16FN3O2/c1-13-9-16(5-7-20(13)27-17-3-2-8-23-12-17)24-21(26)19-11-14-10-15(22)4-6-18(14)25-19/h2-12,25H,1H3,(H,24,26)
InChIKeyDTVUQTKFLIDZLO-UHFFFAOYSA-N
MW361.38 g/mol
LogP5.06
Rot. Bonds4

About 5-fluoro-N-(3-methyl-4-pyridin-3-yloxyphenyl)-1H-indole-2-carboxamide

5-fluoro-N-(3-methyl-4-pyridin-3-yloxyphenyl)-1H-indole-2-carboxamide (PubChem CID 60581236) has the molecular formula C21H16FN3O2 and a molecular weight of 361.38 g/mol. Its IUPAC name is 5-fluoro-N-(3-methyl-4-pyridin-3-yloxyphenyl)-1H-indole-2-carboxamide.

Molecular Properties

Compound Name5-fluoro-N-(3-methyl-4-pyridin-3-yloxyphenyl)-1H-indole-2-carboxamide
PubChem CID60581236
Molecular FormulaC21H16FN3O2
Molecular Weight361.38 g/mol
Exact Mass361.12
IUPAC Name5-fluoro-N-(3-methyl-4-pyridin-3-yloxyphenyl)-1H-indole-2-carboxamide
SMILESCc1cc(NC(=O)c2cc3cc(F)ccc3[nH]2)ccc1Oc1cccnc1
InChIInChI=1S/C21H16FN3O2/c1-13-9-16(5-7-20(13)27-17-3-2-8-23-12-17)24-21(26)19-11-14-10-15(22)4-6-18(14)25-19/h2-12,25H,1H3,(H,24,26)
InChIKeyDTVUQTKFLIDZLO-UHFFFAOYSA-N
XLogP5.06
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500361.38
LogP ≤ 55.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-fluoro-N-quinolin-6-yl-1H-indole-2-carboxamide
CID 4905152
1-(4-fluorophenyl)-N-(3-methyl-4-pyridin-3-yloxyphenyl)cyclobutane-1-carboxamide
CID 60580980
3-(2,4-difluorophenyl)-1-methyl-N-(3-methyl-4-pyridin-3-yloxyphenyl)pyrazole-4-carboxamide
CID 86948264
ethyl N-[4-[(5-fluoro-1H-indole-2-carbonyl)amino]phenyl]carbamate
CID 60515778
N-(3-methyl-4-pyridin-3-yloxyphenyl)-3-phenylprop-2-ynamide
CID 166220719
5-fluoro-N-[4-(2-methoxyethoxy)phenyl]-1H-indole-2-carboxamide
CID 46433700
N-(3,4-dimethylphenyl)-5-[(4-pyridin-3-ylpyrimidin-2-yl)amino]-1H-indole-2-carboxamide
CID 171354399
7-amino-N-(3-methyl-4-pyridin-3-yloxyphenyl)heptanamide
CID 119864464
3,3-dimethyl-5-(3-methyl-4-pyridin-3-yloxyanilino)-5-oxopentanoic acid
CID 47704346
N-(4-carbamoylphenyl)-5-fluoro-1H-indole-2-carboxamide
CID 46557885
4-fluoro-N-(4-nitro-3-pyridin-3-yloxyphenyl)benzamide
CID 69092508
5-fluoro-N-[4-(hydroxymethyl)phenyl]-1H-indole-2-carboxamide
CID 21014433

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-N-(3-methyl-4-pyridin-3-yloxyphenyl)-1H-indole-2-carboxamide?
The IUPAC name of 5-fluoro-N-(3-methyl-4-pyridin-3-yloxyphenyl)-1H-indole-2-carboxamide (CID 60581236) is 5-fluoro-N-(3-methyl-4-pyridin-3-yloxyphenyl)-1H-indole-2-carboxamide.
What is the SMILES notation for 5-fluoro-N-(3-methyl-4-pyridin-3-yloxyphenyl)-1H-indole-2-carboxamide?
The canonical SMILES for 5-fluoro-N-(3-methyl-4-pyridin-3-yloxyphenyl)-1H-indole-2-carboxamide is Cc1cc(NC(=O)c2cc3cc(F)ccc3[nH]2)ccc1Oc1cccnc1.
What is the InChIKey of 5-fluoro-N-(3-methyl-4-pyridin-3-yloxyphenyl)-1H-indole-2-carboxamide?
The InChIKey is DTVUQTKFLIDZLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16FN3O2/c1-13-9-16(5-7-20(13)27-17-3-2-8-23-12-17)24-21(26)19-11-14-10-15(22)4-6-18(14)25-19/h2-12,25H,1H3,(H,24,26).
What are the key properties of 5-fluoro-N-(3-methyl-4-pyridin-3-yloxyphenyl)-1H-indole-2-carboxamide?
5-fluoro-N-(3-methyl-4-pyridin-3-yloxyphenyl)-1H-indole-2-carboxamide has a molecular weight of 361.38 g/mol, XLogP of 5.06, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-N-(3-methyl-4-pyridin-3-yloxyphenyl)-1H-indole-2-carboxamide is sourced from PubChem (CID 60581236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).