1-ethyl-4-(4-fluorophenyl)-N-[(1R)-1-pyridin-2-ylethyl]pyrrole-2-carboxamide

C20H20FN3O — CID 95114044

IUPAC1-ethyl-4-(4-fluorophenyl)-N-[(1R)-1-pyridin-2-ylethyl]pyrrole-2-carboxamide
SMILESCCn1cc(-c2ccc(F)cc2)cc1C(=O)N[C@H](C)c1ccccn1
InChIInChI=1S/C20H20FN3O/c1-3-24-13-16(15-7-9-17(21)10-8-15)12-19(24)20(25)23-14(2)18-6-4-5-11-22-18/h4-14H,3H2,1-2H3,(H,23,25)/t14-/m1/s1
InChIKeyQJDCUKRYSOQVBM-CQSZACIVSA-N
MW337.40 g/mol
LogP4.20
Rot. Bonds5

About 1-ethyl-4-(4-fluorophenyl)-N-[(1R)-1-pyridin-2-ylethyl]pyrrole-2-carboxamide

1-ethyl-4-(4-fluorophenyl)-N-[(1R)-1-pyridin-2-ylethyl]pyrrole-2-carboxamide (PubChem CID 95114044) has the molecular formula C20H20FN3O and a molecular weight of 337.40 g/mol. Its IUPAC name is 1-ethyl-4-(4-fluorophenyl)-N-[(1R)-1-pyridin-2-ylethyl]pyrrole-2-carboxamide.

Molecular Properties

Compound Name1-ethyl-4-(4-fluorophenyl)-N-[(1R)-1-pyridin-2-ylethyl]pyrrole-2-carboxamide
PubChem CID95114044
Molecular FormulaC20H20FN3O
Molecular Weight337.40 g/mol
Exact Mass337.16
IUPAC Name1-ethyl-4-(4-fluorophenyl)-N-[(1R)-1-pyridin-2-ylethyl]pyrrole-2-carboxamide
SMILESCCn1cc(-c2ccc(F)cc2)cc1C(=O)N[C@H](C)c1ccccn1
InChIInChI=1S/C20H20FN3O/c1-3-24-13-16(15-7-9-17(21)10-8-15)12-19(24)20(25)23-14(2)18-6-4-5-11-22-18/h4-14H,3H2,1-2H3,(H,23,25)/t14-/m1/s1
InChIKeyQJDCUKRYSOQVBM-CQSZACIVSA-N
XLogP4.20
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.40
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-ethyl-4-(4-methylphenyl)-N-(1-pyridin-2-ylethyl)pyrrole-2-carboxamide
CID 53200707
1-ethyl-4-(4-methoxyphenyl)-N-[(1R)-1-pyridin-2-ylethyl]pyrrole-2-carboxamide
CID 95114040
2-(4-fluorophenyl)sulfanyl-N-[(1S)-1-pyridin-2-ylethyl]acetamide
CID 35938252
1-[(1R)-1-(4-fluorophenyl)ethyl]-3-[(1R)-1-pyridin-2-ylethyl]urea
CID 33431970
1-(4-fluorophenyl)-3-(3-methylphenyl)-N-[(1S)-1-pyridin-2-ylethyl]pyrazole-4-carboxamide
CID 40795701
5-fluoro-N-(1-pyridin-2-ylethyl)-1H-indole-2-carboxamide
CID 42947302
1-ethyl-3-propan-2-yl-N-(2,2,2-trifluoro-1-pyridin-2-ylethyl)pyrazole-5-carboxamide
CID 77083070
N-[(1R)-1-pyridin-2-ylethyl]propanamide
CID 59509331
N-(4-fluorophenyl)-6-oxo-1-[2-oxo-2-[[(1R)-1-pyridin-2-ylethyl]amino]ethyl]pyridine-3-carboxamide
CID 92635901
1-(4-fluorophenyl)-5-methyl-N-(1-pyridin-2-ylethyl)pyrazole-4-carboxamide
CID 46576724
2-(ethylamino)-N-(1-pyridin-2-ylethyl)benzamide
CID 62168319
2-(methylamino)-N-[(1R)-1-pyridin-2-ylethyl]benzamide
CID 81406697

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-4-(4-fluorophenyl)-N-[(1R)-1-pyridin-2-ylethyl]pyrrole-2-carboxamide?
The IUPAC name of 1-ethyl-4-(4-fluorophenyl)-N-[(1R)-1-pyridin-2-ylethyl]pyrrole-2-carboxamide (CID 95114044) is 1-ethyl-4-(4-fluorophenyl)-N-[(1R)-1-pyridin-2-ylethyl]pyrrole-2-carboxamide.
What is the SMILES notation for 1-ethyl-4-(4-fluorophenyl)-N-[(1R)-1-pyridin-2-ylethyl]pyrrole-2-carboxamide?
The canonical SMILES for 1-ethyl-4-(4-fluorophenyl)-N-[(1R)-1-pyridin-2-ylethyl]pyrrole-2-carboxamide is CCn1cc(-c2ccc(F)cc2)cc1C(=O)N[C@H](C)c1ccccn1.
What is the InChIKey of 1-ethyl-4-(4-fluorophenyl)-N-[(1R)-1-pyridin-2-ylethyl]pyrrole-2-carboxamide?
The InChIKey is QJDCUKRYSOQVBM-CQSZACIVSA-N. The full InChI is InChI=1S/C20H20FN3O/c1-3-24-13-16(15-7-9-17(21)10-8-15)12-19(24)20(25)23-14(2)18-6-4-5-11-22-18/h4-14H,3H2,1-2H3,(H,23,25)/t14-/m1/s1.
What are the key properties of 1-ethyl-4-(4-fluorophenyl)-N-[(1R)-1-pyridin-2-ylethyl]pyrrole-2-carboxamide?
1-ethyl-4-(4-fluorophenyl)-N-[(1R)-1-pyridin-2-ylethyl]pyrrole-2-carboxamide has a molecular weight of 337.40 g/mol, XLogP of 4.20, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-4-(4-fluorophenyl)-N-[(1R)-1-pyridin-2-ylethyl]pyrrole-2-carboxamide is sourced from PubChem (CID 95114044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).