N-(5,6-difluoro-1H-indol-3-yl)-2-(1-hydroxypropyl)pyridine-4-carboxamide

C17H15F2N3O2 — CID 162445208

IUPACN-(5,6-difluoro-1H-indol-3-yl)-2-(1-hydroxypropyl)pyridine-4-carboxamide
SMILESCCC(O)c1cc(C(=O)Nc2c[nH]c3cc(F)c(F)cc23)ccn1
InChIInChI=1S/C17H15F2N3O2/c1-2-16(23)14-5-9(3-4-20-14)17(24)22-15-8-21-13-7-12(19)11(18)6-10(13)15/h3-8,16,21,23H,2H2,1H3,(H,22,24)
InChIKeyGPPSZFQCMMIJNW-UHFFFAOYSA-N
MW331.32 g/mol
LogP3.54
Rot. Bonds4

About N-(5,6-difluoro-1H-indol-3-yl)-2-(1-hydroxypropyl)pyridine-4-carboxamide

N-(5,6-difluoro-1H-indol-3-yl)-2-(1-hydroxypropyl)pyridine-4-carboxamide (PubChem CID 162445208) has the molecular formula C17H15F2N3O2 and a molecular weight of 331.32 g/mol. Its IUPAC name is N-(5,6-difluoro-1H-indol-3-yl)-2-(1-hydroxypropyl)pyridine-4-carboxamide.

Molecular Properties

Compound NameN-(5,6-difluoro-1H-indol-3-yl)-2-(1-hydroxypropyl)pyridine-4-carboxamide
PubChem CID162445208
Molecular FormulaC17H15F2N3O2
Molecular Weight331.32 g/mol
Exact Mass331.11
IUPAC NameN-(5,6-difluoro-1H-indol-3-yl)-2-(1-hydroxypropyl)pyridine-4-carboxamide
SMILESCCC(O)c1cc(C(=O)Nc2c[nH]c3cc(F)c(F)cc23)ccn1
InChIInChI=1S/C17H15F2N3O2/c1-2-16(23)14-5-9(3-4-20-14)17(24)22-15-8-21-13-7-12(19)11(18)6-10(13)15/h3-8,16,21,23H,2H2,1H3,(H,22,24)
InChIKeyGPPSZFQCMMIJNW-UHFFFAOYSA-N
XLogP3.54
TPSA78.01 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.32
LogP ≤ 53.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

6-butoxy-N-(5,6-difluoro-1H-indol-3-yl)pyridine-3-carboxamide
CID 170068393
N-(5,6-difluoro-1H-indol-3-yl)-4-(2-hydroxypropan-2-yl)benzamide
CID 154652693
N-(5,6-difluoro-1H-indol-3-yl)-3-(2-methylpyrazol-3-yl)benzamide
CID 154652719
N-(5,6-difluoro-1H-indol-3-yl)-6-(trifluoromethyl)pyridine-3-carboxamide
CID 154652690
N-(5,6-difluoro-1H-indol-3-yl)-6-(4,4-difluoropiperidin-1-yl)pyridine-3-carboxamide
CID 162445062
N-(5,6-difluoro-1H-indol-3-yl)thieno[2,3-b]pyridine-2-carboxamide
CID 169016662
(5,6-difluoro-1H-indol-3-yl)-[4-[(1S)-1-hydroxypropyl]-1,3-thiazol-2-yl]methanone
CID 155231624
4-cyclohexyloxy-N-(5,6-difluoro-1H-indol-3-yl)benzamide
CID 162444906
N-(5,6-difluoro-1H-indol-3-yl)-1-[(1S)-1-[4-(trifluoromethyl)phenyl]ethyl]pyrazole-4-carboxamide
CID 162444806
N-(5,6-difluoro-1H-indol-3-yl)-2-(trifluoromethyl)benzamide
CID 154652721
N-(5,6-difluoro-1H-indol-3-yl)-2-phenyl-1,3-thiazole-4-carboxamide
CID 162444829
N-(5,6-difluoro-1H-indol-3-yl)-1-[[5-methyl-6-(1,2,2-trifluoroethoxy)-3-pyridinyl]methyl]pyrazole-4-carboxamide
CID 175432226

Frequently Asked Questions

What is the IUPAC name of N-(5,6-difluoro-1H-indol-3-yl)-2-(1-hydroxypropyl)pyridine-4-carboxamide?
The IUPAC name of N-(5,6-difluoro-1H-indol-3-yl)-2-(1-hydroxypropyl)pyridine-4-carboxamide (CID 162445208) is N-(5,6-difluoro-1H-indol-3-yl)-2-(1-hydroxypropyl)pyridine-4-carboxamide.
What is the SMILES notation for N-(5,6-difluoro-1H-indol-3-yl)-2-(1-hydroxypropyl)pyridine-4-carboxamide?
The canonical SMILES for N-(5,6-difluoro-1H-indol-3-yl)-2-(1-hydroxypropyl)pyridine-4-carboxamide is CCC(O)c1cc(C(=O)Nc2c[nH]c3cc(F)c(F)cc23)ccn1.
What is the InChIKey of N-(5,6-difluoro-1H-indol-3-yl)-2-(1-hydroxypropyl)pyridine-4-carboxamide?
The InChIKey is GPPSZFQCMMIJNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15F2N3O2/c1-2-16(23)14-5-9(3-4-20-14)17(24)22-15-8-21-13-7-12(19)11(18)6-10(13)15/h3-8,16,21,23H,2H2,1H3,(H,22,24).
What are the key properties of N-(5,6-difluoro-1H-indol-3-yl)-2-(1-hydroxypropyl)pyridine-4-carboxamide?
N-(5,6-difluoro-1H-indol-3-yl)-2-(1-hydroxypropyl)pyridine-4-carboxamide has a molecular weight of 331.32 g/mol, XLogP of 3.54, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5,6-difluoro-1H-indol-3-yl)-2-(1-hydroxypropyl)pyridine-4-carboxamide is sourced from PubChem (CID 162445208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).