2-cyclopropyl-N-[1-(4-fluorophenyl)butan-2-yl]-6-oxo-1H-pyridine-4-carboxamide

C19H21FN2O2 — CID 154842797

IUPAC2-cyclopropyl-N-[1-(4-fluorophenyl)butan-2-yl]-6-oxo-1H-pyridine-4-carboxamide
SMILESCCC(Cc1ccc(F)cc1)NC(=O)c1cc(C2CC2)[nH]c(=O)c1
InChIInChI=1S/C19H21FN2O2/c1-2-16(9-12-3-7-15(20)8-4-12)21-19(24)14-10-17(13-5-6-13)22-18(23)11-14/h3-4,7-8,10-11,13,16H,2,5-6,9H2,1H3,(H,21,24)(H,22,23)
InChIKeyPFJRLYMHUZQPHW-UHFFFAOYSA-N
MW328.39 g/mol
LogP3.14
Rot. Bonds6

About 2-cyclopropyl-N-[1-(4-fluorophenyl)butan-2-yl]-6-oxo-1H-pyridine-4-carboxamide

2-cyclopropyl-N-[1-(4-fluorophenyl)butan-2-yl]-6-oxo-1H-pyridine-4-carboxamide (PubChem CID 154842797) has the molecular formula C19H21FN2O2 and a molecular weight of 328.39 g/mol. Its IUPAC name is 2-cyclopropyl-N-[1-(4-fluorophenyl)butan-2-yl]-6-oxo-1H-pyridine-4-carboxamide.

Molecular Properties

Compound Name2-cyclopropyl-N-[1-(4-fluorophenyl)butan-2-yl]-6-oxo-1H-pyridine-4-carboxamide
PubChem CID154842797
Molecular FormulaC19H21FN2O2
Molecular Weight328.39 g/mol
Exact Mass328.16
IUPAC Name2-cyclopropyl-N-[1-(4-fluorophenyl)butan-2-yl]-6-oxo-1H-pyridine-4-carboxamide
SMILESCCC(Cc1ccc(F)cc1)NC(=O)c1cc(C2CC2)[nH]c(=O)c1
InChIInChI=1S/C19H21FN2O2/c1-2-16(9-12-3-7-15(20)8-4-12)21-19(24)14-10-17(13-5-6-13)22-18(23)11-14/h3-4,7-8,10-11,13,16H,2,5-6,9H2,1H3,(H,21,24)(H,22,23)
InChIKeyPFJRLYMHUZQPHW-UHFFFAOYSA-N
XLogP3.14
TPSA61.96 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.39
LogP ≤ 53.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-(4-fluorophenyl)butan-2-yl]acetamide
CID 167041823
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CID 104981474
2-cyclopropyl-6-oxo-N-(1-thiophen-3-ylethyl)-1H-pyridine-4-carboxamide
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2-hydroxy-N-(1-hydroxy-3-phenylpropan-2-yl)-6-oxo-1H-pyridine-4-carboxamide
CID 63261027
N-[(2S)-1-phenylbutan-2-yl]benzamide
CID 778631
2-cyclopropyl-N-[2-(3,4-difluorophenyl)-1-methylpyrrolidin-3-yl]-6-oxo-1H-pyridine-4-carboxamide
CID 127904280
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CID 92865487
3-fluoro-N-[(2R)-1-hydroxybutan-2-yl]benzamide
CID 40538169
3-methyl-N-[(2S)-1-phenylbutan-2-yl]benzamide
CID 2226546
3-methyl-N-[(2R)-1-phenylbutan-2-yl]benzamide
CID 2226547
N-[(2R)-1-(4-fluorophenyl)-3-sulfanylpropan-2-yl]-7-methyl-2-propyl-3H-benzimidazole-5-carboxamide
CID 141219093
N-[(2S)-butan-2-yl]-4-[[4-[(4-fluorophenyl)methyl]-2,3-dioxopiperazin-1-yl]methyl]benzamide
CID 95092870

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-N-[1-(4-fluorophenyl)butan-2-yl]-6-oxo-1H-pyridine-4-carboxamide?
The IUPAC name of 2-cyclopropyl-N-[1-(4-fluorophenyl)butan-2-yl]-6-oxo-1H-pyridine-4-carboxamide (CID 154842797) is 2-cyclopropyl-N-[1-(4-fluorophenyl)butan-2-yl]-6-oxo-1H-pyridine-4-carboxamide.
What is the SMILES notation for 2-cyclopropyl-N-[1-(4-fluorophenyl)butan-2-yl]-6-oxo-1H-pyridine-4-carboxamide?
The canonical SMILES for 2-cyclopropyl-N-[1-(4-fluorophenyl)butan-2-yl]-6-oxo-1H-pyridine-4-carboxamide is CCC(Cc1ccc(F)cc1)NC(=O)c1cc(C2CC2)[nH]c(=O)c1.
What is the InChIKey of 2-cyclopropyl-N-[1-(4-fluorophenyl)butan-2-yl]-6-oxo-1H-pyridine-4-carboxamide?
The InChIKey is PFJRLYMHUZQPHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21FN2O2/c1-2-16(9-12-3-7-15(20)8-4-12)21-19(24)14-10-17(13-5-6-13)22-18(23)11-14/h3-4,7-8,10-11,13,16H,2,5-6,9H2,1H3,(H,21,24)(H,22,23).
What are the key properties of 2-cyclopropyl-N-[1-(4-fluorophenyl)butan-2-yl]-6-oxo-1H-pyridine-4-carboxamide?
2-cyclopropyl-N-[1-(4-fluorophenyl)butan-2-yl]-6-oxo-1H-pyridine-4-carboxamide has a molecular weight of 328.39 g/mol, XLogP of 3.14, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-N-[1-(4-fluorophenyl)butan-2-yl]-6-oxo-1H-pyridine-4-carboxamide is sourced from PubChem (CID 154842797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).