3-ethyl-5-fluoro-N-(3-pyridin-2-ylpropyl)-1H-indole-2-carboxamide

C19H20FN3O — CID 110245210

IUPAC3-ethyl-5-fluoro-N-(3-pyridin-2-ylpropyl)-1H-indole-2-carboxamide
SMILESCCc1c(C(=O)NCCCc2ccccn2)[nH]c2ccc(F)cc12
InChIInChI=1S/C19H20FN3O/c1-2-15-16-12-13(20)8-9-17(16)23-18(15)19(24)22-11-5-7-14-6-3-4-10-21-14/h3-4,6,8-10,12,23H,2,5,7,11H2,1H3,(H,22,24)
InChIKeyBFQMHILRLWKIMJ-UHFFFAOYSA-N
MW325.39 g/mol
LogP3.63
Rot. Bonds6

About 3-ethyl-5-fluoro-N-(3-pyridin-2-ylpropyl)-1H-indole-2-carboxamide

3-ethyl-5-fluoro-N-(3-pyridin-2-ylpropyl)-1H-indole-2-carboxamide (PubChem CID 110245210) has the molecular formula C19H20FN3O and a molecular weight of 325.39 g/mol. Its IUPAC name is 3-ethyl-5-fluoro-N-(3-pyridin-2-ylpropyl)-1H-indole-2-carboxamide.

Molecular Properties

Compound Name3-ethyl-5-fluoro-N-(3-pyridin-2-ylpropyl)-1H-indole-2-carboxamide
PubChem CID110245210
Molecular FormulaC19H20FN3O
Molecular Weight325.39 g/mol
Exact Mass325.16
IUPAC Name3-ethyl-5-fluoro-N-(3-pyridin-2-ylpropyl)-1H-indole-2-carboxamide
SMILESCCc1c(C(=O)NCCCc2ccccn2)[nH]c2ccc(F)cc12
InChIInChI=1S/C19H20FN3O/c1-2-15-16-12-13(20)8-9-17(16)23-18(15)19(24)22-11-5-7-14-6-3-4-10-21-14/h3-4,6,8-10,12,23H,2,5,7,11H2,1H3,(H,22,24)
InChIKeyBFQMHILRLWKIMJ-UHFFFAOYSA-N
XLogP3.63
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.39
LogP ≤ 53.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-butyl-4-(5-fluoro-2-pyridin-2-yl-1H-indol-3-yl)butanamide
CID 18833140
N-(3-pyridin-2-ylpropyl)pyridine-2-carboxamide
CID 110660927
3-ethyl-5-fluoro-N-[(3R)-oxan-3-yl]-1H-indole-2-carboxamide
CID 51496460
2,4-difluoro-N-(2-pyridin-2-ylethyl)benzamide
CID 51164132
6-fluoro-3-methyl-N-(3-phenylpropyl)-1H-indole-2-carboxamide
CID 113205161
ethyl 3-ethyl-5-fluoro-1H-indole-2-carboxylate
CID 18986264
4,5,6-trimethyl-2-oxo-N-(3-pyridin-2-ylpropyl)-1H-pyridine-3-carboxamide
CID 121498886
4,6-dimethyl-2-oxo-N-(4-pyridin-2-ylbutyl)-1H-pyridine-3-carboxamide
CID 70761609
3,4-dichloro-N-(3-pyridin-2-ylpropyl)benzamide
CID 110660973
4-pyridin-2-yl-N-(3-pyridin-2-ylpropyl)butanamide
CID 166230056
N-[2-(5-fluoro-2-methyl-1H-indol-3-yl)ethyl]-1,6-naphthyridine-8-carboxamide
CID 91949032
2-(5-fluoro-1H-indol-3-yl)-2-methyl-N-(pyridin-2-ylmethyl)propanamide
CID 113209901

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-5-fluoro-N-(3-pyridin-2-ylpropyl)-1H-indole-2-carboxamide?
The IUPAC name of 3-ethyl-5-fluoro-N-(3-pyridin-2-ylpropyl)-1H-indole-2-carboxamide (CID 110245210) is 3-ethyl-5-fluoro-N-(3-pyridin-2-ylpropyl)-1H-indole-2-carboxamide.
What is the SMILES notation for 3-ethyl-5-fluoro-N-(3-pyridin-2-ylpropyl)-1H-indole-2-carboxamide?
The canonical SMILES for 3-ethyl-5-fluoro-N-(3-pyridin-2-ylpropyl)-1H-indole-2-carboxamide is CCc1c(C(=O)NCCCc2ccccn2)[nH]c2ccc(F)cc12.
What is the InChIKey of 3-ethyl-5-fluoro-N-(3-pyridin-2-ylpropyl)-1H-indole-2-carboxamide?
The InChIKey is BFQMHILRLWKIMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20FN3O/c1-2-15-16-12-13(20)8-9-17(16)23-18(15)19(24)22-11-5-7-14-6-3-4-10-21-14/h3-4,6,8-10,12,23H,2,5,7,11H2,1H3,(H,22,24).
What are the key properties of 3-ethyl-5-fluoro-N-(3-pyridin-2-ylpropyl)-1H-indole-2-carboxamide?
3-ethyl-5-fluoro-N-(3-pyridin-2-ylpropyl)-1H-indole-2-carboxamide has a molecular weight of 325.39 g/mol, XLogP of 3.63, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-5-fluoro-N-(3-pyridin-2-ylpropyl)-1H-indole-2-carboxamide is sourced from PubChem (CID 110245210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).