3-[3-acetyl-5-(4-fluorophenyl)-2-methylpyrrol-1-yl]-N-(6-methyl-2-pyridinyl)propanamide

C22H22FN3O2 — CID 5067062

IUPAC3-[3-acetyl-5-(4-fluorophenyl)-2-methylpyrrol-1-yl]-N-(6-methyl-2-pyridinyl)propanamide
SMILESCC(=O)c1cc(-c2ccc(F)cc2)n(CCC(=O)Nc2cccc(C)n2)c1C
InChIInChI=1S/C22H22FN3O2/c1-14-5-4-6-21(24-14)25-22(28)11-12-26-15(2)19(16(3)27)13-20(26)17-7-9-18(23)10-8-17/h4-10,13H,11-12H2,1-3H3,(H,24,25,28)
InChIKeyBYZACNFUFAMEAK-UHFFFAOYSA-N
MW379.44 g/mol
LogP4.54
Rot. Bonds6

About 3-[3-acetyl-5-(4-fluorophenyl)-2-methylpyrrol-1-yl]-N-(6-methyl-2-pyridinyl)propanamide

3-[3-acetyl-5-(4-fluorophenyl)-2-methylpyrrol-1-yl]-N-(6-methyl-2-pyridinyl)propanamide (PubChem CID 5067062) has the molecular formula C22H22FN3O2 and a molecular weight of 379.44 g/mol. Its IUPAC name is 3-[3-acetyl-5-(4-fluorophenyl)-2-methylpyrrol-1-yl]-N-(6-methyl-2-pyridinyl)propanamide.

Molecular Properties

Compound Name3-[3-acetyl-5-(4-fluorophenyl)-2-methylpyrrol-1-yl]-N-(6-methyl-2-pyridinyl)propanamide
PubChem CID5067062
Molecular FormulaC22H22FN3O2
Molecular Weight379.44 g/mol
Exact Mass379.17
IUPAC Name3-[3-acetyl-5-(4-fluorophenyl)-2-methylpyrrol-1-yl]-N-(6-methyl-2-pyridinyl)propanamide
SMILESCC(=O)c1cc(-c2ccc(F)cc2)n(CCC(=O)Nc2cccc(C)n2)c1C
InChIInChI=1S/C22H22FN3O2/c1-14-5-4-6-21(24-14)25-22(28)11-12-26-15(2)19(16(3)27)13-20(26)17-7-9-18(23)10-8-17/h4-10,13H,11-12H2,1-3H3,(H,24,25,28)
InChIKeyBYZACNFUFAMEAK-UHFFFAOYSA-N
XLogP4.54
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.44
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Lasmiditan
CID 11610526
Vx-702
CID 10341154
2-Amino-6-[2-((E)-styryl)-pyridin-4-yl]-3,7-dihydro-pyrrolo[2,3-d]pyrimidin-4-one
CID 135524106
Pyrrolo-pyrimidone, 18
CID 135524108
Pyrrolo-pyrimidone, 12
CID 135524115
Pyrrolo-pyrimidone, 9
CID 135524117
2-Benzyl-6-[2-((E)-styryl)-pyridin-4-yl]-3,7-dihydro-pyrrolo[2,3-d]pyrimidin-4-one
CID 135524134
6-[[2-(2,6-difluorophenyl)-5-oxo-6,7-dihydropyrrolo[3,4-b]pyridin-4-yl]amino]-N-ethylpyridine-3-carboxamide
CID 118341355
2,4,6-trifluoro-N-[6-[fluoro-(1-methylpiperidin-4-ylidene)methyl]-2-pyridinyl]benzamide
CID 146420029
N-(6-methylpyridin-2-yl)-6-phenylnicotinamide
CID 44157178
3-Acyl-2,6-diaminopyridine deriv. 2n
CID 5330828
Pyrrolo-pyrimidone, 2
CID 135524105

Frequently Asked Questions

What is the IUPAC name of 3-[3-acetyl-5-(4-fluorophenyl)-2-methylpyrrol-1-yl]-N-(6-methyl-2-pyridinyl)propanamide?
The IUPAC name of 3-[3-acetyl-5-(4-fluorophenyl)-2-methylpyrrol-1-yl]-N-(6-methyl-2-pyridinyl)propanamide (CID 5067062) is 3-[3-acetyl-5-(4-fluorophenyl)-2-methylpyrrol-1-yl]-N-(6-methyl-2-pyridinyl)propanamide.
What is the SMILES notation for 3-[3-acetyl-5-(4-fluorophenyl)-2-methylpyrrol-1-yl]-N-(6-methyl-2-pyridinyl)propanamide?
The canonical SMILES for 3-[3-acetyl-5-(4-fluorophenyl)-2-methylpyrrol-1-yl]-N-(6-methyl-2-pyridinyl)propanamide is CC(=O)c1cc(-c2ccc(F)cc2)n(CCC(=O)Nc2cccc(C)n2)c1C.
What is the InChIKey of 3-[3-acetyl-5-(4-fluorophenyl)-2-methylpyrrol-1-yl]-N-(6-methyl-2-pyridinyl)propanamide?
The InChIKey is BYZACNFUFAMEAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22FN3O2/c1-14-5-4-6-21(24-14)25-22(28)11-12-26-15(2)19(16(3)27)13-20(26)17-7-9-18(23)10-8-17/h4-10,13H,11-12H2,1-3H3,(H,24,25,28).
What are the key properties of 3-[3-acetyl-5-(4-fluorophenyl)-2-methylpyrrol-1-yl]-N-(6-methyl-2-pyridinyl)propanamide?
3-[3-acetyl-5-(4-fluorophenyl)-2-methylpyrrol-1-yl]-N-(6-methyl-2-pyridinyl)propanamide has a molecular weight of 379.44 g/mol, XLogP of 4.54, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-acetyl-5-(4-fluorophenyl)-2-methylpyrrol-1-yl]-N-(6-methyl-2-pyridinyl)propanamide is sourced from PubChem (CID 5067062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).