1-(4-fluorophenyl)-N-[2-(1H-indol-3-yl)ethyl]-6-oxopyridine-3-carboxamide

C22H18FN3O2 — CID 91955063

IUPAC1-(4-fluorophenyl)-N-[2-(1H-indol-3-yl)ethyl]-6-oxopyridine-3-carboxamide
SMILESO=C(NCCc1c[nH]c2ccccc12)c1ccc(=O)n(-c2ccc(F)cc2)c1
InChIInChI=1S/C22H18FN3O2/c23-17-6-8-18(9-7-17)26-14-16(5-10-21(26)27)22(28)24-12-11-15-13-25-20-4-2-1-3-19(15)20/h1-10,13-14,25H,11-12H2,(H,24,28)
InChIKeyCYQGSIRCQWVTHM-UHFFFAOYSA-N
MW375.40 g/mol
LogP3.43
Rot. Bonds5

About 1-(4-fluorophenyl)-N-[2-(1H-indol-3-yl)ethyl]-6-oxopyridine-3-carboxamide

1-(4-fluorophenyl)-N-[2-(1H-indol-3-yl)ethyl]-6-oxopyridine-3-carboxamide (PubChem CID 91955063) has the molecular formula C22H18FN3O2 and a molecular weight of 375.40 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-N-[2-(1H-indol-3-yl)ethyl]-6-oxopyridine-3-carboxamide.

Molecular Properties

Compound Name1-(4-fluorophenyl)-N-[2-(1H-indol-3-yl)ethyl]-6-oxopyridine-3-carboxamide
PubChem CID91955063
Molecular FormulaC22H18FN3O2
Molecular Weight375.40 g/mol
Exact Mass375.14
IUPAC Name1-(4-fluorophenyl)-N-[2-(1H-indol-3-yl)ethyl]-6-oxopyridine-3-carboxamide
SMILESO=C(NCCc1c[nH]c2ccccc12)c1ccc(=O)n(-c2ccc(F)cc2)c1
InChIInChI=1S/C22H18FN3O2/c23-17-6-8-18(9-7-17)26-14-16(5-10-21(26)27)22(28)24-12-11-15-13-25-20-4-2-1-3-19(15)20/h1-10,13-14,25H,11-12H2,(H,24,28)
InChIKeyCYQGSIRCQWVTHM-UHFFFAOYSA-N
XLogP3.43
TPSA66.89 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.40
LogP ≤ 53.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-N,4-N-bis[2-(1H-indol-3-yl)ethyl]benzene-1,4-dicarboxamide
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CID 4874239
N-[2-(1H-indol-3-yl)ethyl]-4-(2-oxopyrrolidin-1-yl)benzamide
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5-fluoro-2-(hydroxymethyl)-N-[2-(1H-indol-3-yl)ethyl]benzamide
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1-N-[2-(1H-indol-3-yl)ethyl]-4-N-prop-2-enylbenzene-1,4-dicarboxamide
CID 109043503
2-bromo-4-fluoro-N-[2-(1H-indol-3-yl)ethyl]benzamide
CID 26245347
N-[2-(1H-indol-3-yl)ethyl]-3-methyl-2-oxo-1,3-benzoxazole-6-carboxamide
CID 110766514
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CID 50784758
N-[2-(1H-indol-3-yl)ethyl]-3-methyl-4-oxo-2-sulfanylidene-1H-quinazoline-7-carboxamide
CID 24663733
N-[2-(4-fluorophenyl)ethyl]-2-[2-(1H-indol-3-yl)ethylamino]acetamide
CID 109000531
N-[2-(1H-indol-3-yl)ethyl]-2H-benzotriazole-5-carboxamide
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Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-N-[2-(1H-indol-3-yl)ethyl]-6-oxopyridine-3-carboxamide?
The IUPAC name of 1-(4-fluorophenyl)-N-[2-(1H-indol-3-yl)ethyl]-6-oxopyridine-3-carboxamide (CID 91955063) is 1-(4-fluorophenyl)-N-[2-(1H-indol-3-yl)ethyl]-6-oxopyridine-3-carboxamide.
What is the SMILES notation for 1-(4-fluorophenyl)-N-[2-(1H-indol-3-yl)ethyl]-6-oxopyridine-3-carboxamide?
The canonical SMILES for 1-(4-fluorophenyl)-N-[2-(1H-indol-3-yl)ethyl]-6-oxopyridine-3-carboxamide is O=C(NCCc1c[nH]c2ccccc12)c1ccc(=O)n(-c2ccc(F)cc2)c1.
What is the InChIKey of 1-(4-fluorophenyl)-N-[2-(1H-indol-3-yl)ethyl]-6-oxopyridine-3-carboxamide?
The InChIKey is CYQGSIRCQWVTHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18FN3O2/c23-17-6-8-18(9-7-17)26-14-16(5-10-21(26)27)22(28)24-12-11-15-13-25-20-4-2-1-3-19(15)20/h1-10,13-14,25H,11-12H2,(H,24,28).
What are the key properties of 1-(4-fluorophenyl)-N-[2-(1H-indol-3-yl)ethyl]-6-oxopyridine-3-carboxamide?
1-(4-fluorophenyl)-N-[2-(1H-indol-3-yl)ethyl]-6-oxopyridine-3-carboxamide has a molecular weight of 375.40 g/mol, XLogP of 3.43, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-N-[2-(1H-indol-3-yl)ethyl]-6-oxopyridine-3-carboxamide is sourced from PubChem (CID 91955063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).