N-[2-(4-fluorophenyl)ethyl]-2-(2-methyl-2,3-dihydroindol-1-yl)pyridine-4-carboxamide

C23H22FN3O — CID 109172647

IUPACN-[2-(4-fluorophenyl)ethyl]-2-(2-methyl-2,3-dihydroindol-1-yl)pyridine-4-carboxamide
SMILESCC1Cc2ccccc2N1c1cc(C(=O)NCCc2ccc(F)cc2)ccn1
InChIInChI=1S/C23H22FN3O/c1-16-14-18-4-2-3-5-21(18)27(16)22-15-19(11-13-25-22)23(28)26-12-10-17-6-8-20(24)9-7-17/h2-9,11,13,15-16H,10,12,14H2,1H3,(H,26,28)
InChIKeyIPDQUOAABMVIKV-UHFFFAOYSA-N
MW375.45 g/mol
LogP4.28
Rot. Bonds5

About N-[2-(4-fluorophenyl)ethyl]-2-(2-methyl-2,3-dihydroindol-1-yl)pyridine-4-carboxamide

N-[2-(4-fluorophenyl)ethyl]-2-(2-methyl-2,3-dihydroindol-1-yl)pyridine-4-carboxamide (PubChem CID 109172647) has the molecular formula C23H22FN3O and a molecular weight of 375.45 g/mol. Its IUPAC name is N-[2-(4-fluorophenyl)ethyl]-2-(2-methyl-2,3-dihydroindol-1-yl)pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[2-(4-fluorophenyl)ethyl]-2-(2-methyl-2,3-dihydroindol-1-yl)pyridine-4-carboxamide
PubChem CID109172647
Molecular FormulaC23H22FN3O
Molecular Weight375.45 g/mol
Exact Mass375.17
IUPAC NameN-[2-(4-fluorophenyl)ethyl]-2-(2-methyl-2,3-dihydroindol-1-yl)pyridine-4-carboxamide
SMILESCC1Cc2ccccc2N1c1cc(C(=O)NCCc2ccc(F)cc2)ccn1
InChIInChI=1S/C23H22FN3O/c1-16-14-18-4-2-3-5-21(18)27(16)22-15-19(11-13-25-22)23(28)26-12-10-17-6-8-20(24)9-7-17/h2-9,11,13,15-16H,10,12,14H2,1H3,(H,26,28)
InChIKeyIPDQUOAABMVIKV-UHFFFAOYSA-N
XLogP4.28
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.45
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2,3-dihydroindol-1-yl)-N-[2-(4-fluorophenyl)ethyl]pyridine-4-carboxamide
CID 109172612
2-(2-methyl-2,3-dihydroindol-1-yl)-N-[(2-methylphenyl)methyl]pyridine-4-carboxamide
CID 109169666
6-(2-methyl-2,3-dihydroindol-1-yl)-N-(2-phenylethyl)pyridine-3-carboxamide
CID 84570544
N-benzyl-N-methyl-2-(2-methyl-2,3-dihydroindol-1-yl)pyridine-4-carboxamide
CID 109170283
N-[(4-fluorophenyl)methyl]-6-(2-methyl-2,3-dihydroindol-1-yl)pyridine-3-carboxamide
CID 109156755
N-[2-(2-fluorophenyl)ethyl]-4-(2-methyl-2,3-dihydroindol-1-yl)pyridine-2-carboxamide
CID 109214008
N-[2-(4-fluorophenyl)ethyl]-2-methyl-2,3-dihydroindole-1-carboxamide
CID 108902174
methyl 4-[[2-(2-methyl-2,3-dihydroindol-1-yl)pyridine-4-carbonyl]amino]benzoate
CID 109178653
N-[2-(4-methoxyphenyl)ethyl]-6-(2-methyl-2,3-dihydroindol-1-yl)pyridazine-3-carboxamide
CID 109122562
2-N-[2-(4-fluorophenyl)ethyl]-4-N-(2-phenylethyl)pyridine-2,4-dicarboxamide
CID 109087697
N-[(4-fluorophenyl)methyl]-2-methyl-6-(2-methyl-2,3-dihydroindol-1-yl)pyrimidine-4-carboxamide
CID 109369937
N-(2,4-dimethoxyphenyl)-2-(2-methyl-2,3-dihydroindol-1-yl)pyridine-4-carboxamide
CID 109178358

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-fluorophenyl)ethyl]-2-(2-methyl-2,3-dihydroindol-1-yl)pyridine-4-carboxamide?
The IUPAC name of N-[2-(4-fluorophenyl)ethyl]-2-(2-methyl-2,3-dihydroindol-1-yl)pyridine-4-carboxamide (CID 109172647) is N-[2-(4-fluorophenyl)ethyl]-2-(2-methyl-2,3-dihydroindol-1-yl)pyridine-4-carboxamide.
What is the SMILES notation for N-[2-(4-fluorophenyl)ethyl]-2-(2-methyl-2,3-dihydroindol-1-yl)pyridine-4-carboxamide?
The canonical SMILES for N-[2-(4-fluorophenyl)ethyl]-2-(2-methyl-2,3-dihydroindol-1-yl)pyridine-4-carboxamide is CC1Cc2ccccc2N1c1cc(C(=O)NCCc2ccc(F)cc2)ccn1.
What is the InChIKey of N-[2-(4-fluorophenyl)ethyl]-2-(2-methyl-2,3-dihydroindol-1-yl)pyridine-4-carboxamide?
The InChIKey is IPDQUOAABMVIKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22FN3O/c1-16-14-18-4-2-3-5-21(18)27(16)22-15-19(11-13-25-22)23(28)26-12-10-17-6-8-20(24)9-7-17/h2-9,11,13,15-16H,10,12,14H2,1H3,(H,26,28).
What are the key properties of N-[2-(4-fluorophenyl)ethyl]-2-(2-methyl-2,3-dihydroindol-1-yl)pyridine-4-carboxamide?
N-[2-(4-fluorophenyl)ethyl]-2-(2-methyl-2,3-dihydroindol-1-yl)pyridine-4-carboxamide has a molecular weight of 375.45 g/mol, XLogP of 4.28, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-fluorophenyl)ethyl]-2-(2-methyl-2,3-dihydroindol-1-yl)pyridine-4-carboxamide is sourced from PubChem (CID 109172647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).