1-(2-fluorophenyl)-5-propyl-N-(6-pyrrolidin-1-yl-3-pyridinyl)-1,2,4-triazole-3-carboxamide

C21H23FN6O — CID 126792874

IUPAC1-(2-fluorophenyl)-5-propyl-N-(6-pyrrolidin-1-yl-3-pyridinyl)-1,2,4-triazole-3-carboxamide
SMILESCCCc1nc(C(=O)Nc2ccc(N3CCCC3)nc2)nn1-c1ccccc1F
InChIInChI=1S/C21H23FN6O/c1-2-7-19-25-20(26-28(19)17-9-4-3-8-16(17)22)21(29)24-15-10-11-18(23-14-15)27-12-5-6-13-27/h3-4,8-11,14H,2,5-7,12-13H2,1H3,(H,24,29)
InChIKeyIPWXKCUTCHSQOE-UHFFFAOYSA-N
MW394.45 g/mol
LogP3.61
Rot. Bonds6

About 1-(2-fluorophenyl)-5-propyl-N-(6-pyrrolidin-1-yl-3-pyridinyl)-1,2,4-triazole-3-carboxamide

1-(2-fluorophenyl)-5-propyl-N-(6-pyrrolidin-1-yl-3-pyridinyl)-1,2,4-triazole-3-carboxamide (PubChem CID 126792874) has the molecular formula C21H23FN6O and a molecular weight of 394.45 g/mol. Its IUPAC name is 1-(2-fluorophenyl)-5-propyl-N-(6-pyrrolidin-1-yl-3-pyridinyl)-1,2,4-triazole-3-carboxamide.

Molecular Properties

Compound Name1-(2-fluorophenyl)-5-propyl-N-(6-pyrrolidin-1-yl-3-pyridinyl)-1,2,4-triazole-3-carboxamide
PubChem CID126792874
Molecular FormulaC21H23FN6O
Molecular Weight394.45 g/mol
Exact Mass394.19
IUPAC Name1-(2-fluorophenyl)-5-propyl-N-(6-pyrrolidin-1-yl-3-pyridinyl)-1,2,4-triazole-3-carboxamide
SMILESCCCc1nc(C(=O)Nc2ccc(N3CCCC3)nc2)nn1-c1ccccc1F
InChIInChI=1S/C21H23FN6O/c1-2-7-19-25-20(26-28(19)17-9-4-3-8-16(17)22)21(29)24-15-10-11-18(23-14-15)27-12-5-6-13-27/h3-4,8-11,14H,2,5-7,12-13H2,1H3,(H,24,29)
InChIKeyIPWXKCUTCHSQOE-UHFFFAOYSA-N
XLogP3.61
TPSA75.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.45
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-(2-fluorophenyl)-5-propyl-N-(6-pyrrolidin-1-yl-3-pyridinyl)-1,2,4-triazole-3-carboxamide with MolForge

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Related Compounds

1-(2-fluorophenyl)-N-(6-pyrrolidin-1-yl-3-pyridinyl)-5-pyrrol-1-ylpyrazole-4-carboxamide
CID 55580000
ethyl N-[6-[4-(2-fluorophenyl)piperazin-1-yl]-3-pyridinyl]carbamate
CID 113014423
1-(2-fluorophenyl)-N-(3-hydroxybutyl)-5-propyl-1,2,4-triazole-3-carboxamide
CID 111462985
2-fluoro-N-[6-[4-(2-fluorophenyl)piperazin-1-yl]-3-pyridinyl]benzamide
CID 113014414
3-fluoro-N-[6-[4-(2-fluorophenyl)piperazin-1-yl]-3-pyridinyl]benzamide
CID 113014415
2-fluoro-N-[6-[4-(2-hydroxypropyl)-1,4-diazepan-1-yl]-3-pyridinyl]benzamide
CID 42857888
N-[6-(azepan-1-yl)-3-pyridinyl]-4-fluorobenzamide
CID 113015884
N-[6-(4-benzyl-1,4-diazepan-1-yl)-3-pyridinyl]-2-fluorobenzamide
CID 46053831
2-[[5-ethyl-1-(2-fluorophenyl)-1,2,4-triazole-3-carbonyl]amino]propanoic acid
CID 119348935
ethyl N-(6-piperidin-1-yl-3-pyridinyl)carbamate
CID 60715583
3-(2-chloro-6-fluorophenyl)-5-methyl-N-(6-pyrrolidin-1-yl-3-pyridinyl)-1,2-oxazole-4-carboxamide
CID 30548402
1-(2-methylphenyl)-5-propyl-1,2,4-triazole-3-carboxylic acid
CID 43652629

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluorophenyl)-5-propyl-N-(6-pyrrolidin-1-yl-3-pyridinyl)-1,2,4-triazole-3-carboxamide?
The IUPAC name of 1-(2-fluorophenyl)-5-propyl-N-(6-pyrrolidin-1-yl-3-pyridinyl)-1,2,4-triazole-3-carboxamide (CID 126792874) is 1-(2-fluorophenyl)-5-propyl-N-(6-pyrrolidin-1-yl-3-pyridinyl)-1,2,4-triazole-3-carboxamide.
What is the SMILES notation for 1-(2-fluorophenyl)-5-propyl-N-(6-pyrrolidin-1-yl-3-pyridinyl)-1,2,4-triazole-3-carboxamide?
The canonical SMILES for 1-(2-fluorophenyl)-5-propyl-N-(6-pyrrolidin-1-yl-3-pyridinyl)-1,2,4-triazole-3-carboxamide is CCCc1nc(C(=O)Nc2ccc(N3CCCC3)nc2)nn1-c1ccccc1F.
What is the InChIKey of 1-(2-fluorophenyl)-5-propyl-N-(6-pyrrolidin-1-yl-3-pyridinyl)-1,2,4-triazole-3-carboxamide?
The InChIKey is IPWXKCUTCHSQOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23FN6O/c1-2-7-19-25-20(26-28(19)17-9-4-3-8-16(17)22)21(29)24-15-10-11-18(23-14-15)27-12-5-6-13-27/h3-4,8-11,14H,2,5-7,12-13H2,1H3,(H,24,29).
What are the key properties of 1-(2-fluorophenyl)-5-propyl-N-(6-pyrrolidin-1-yl-3-pyridinyl)-1,2,4-triazole-3-carboxamide?
1-(2-fluorophenyl)-5-propyl-N-(6-pyrrolidin-1-yl-3-pyridinyl)-1,2,4-triazole-3-carboxamide has a molecular weight of 394.45 g/mol, XLogP of 3.61, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluorophenyl)-5-propyl-N-(6-pyrrolidin-1-yl-3-pyridinyl)-1,2,4-triazole-3-carboxamide is sourced from PubChem (CID 126792874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).