3-[[2-fluoro-4-(piperidine-1-carboximidoyl)benzoyl]amino]-N-(5-methyl-2-pyridinyl)thiophene-2-carboxamide

C24H24FN5O2S — CID 70670839

IUPAC3-[[2-fluoro-4-(piperidine-1-carboximidoyl)benzoyl]amino]-N-(5-methyl-2-pyridinyl)thiophene-2-carboxamide
SMILES[H]/N=C(/c1ccc(C(=O)Nc2ccsc2C(=O)Nc2ccc(C)cn2)c(F)c1)N1CCCCC1
InChIInChI=1S/C24H24FN5O2S/c1-15-5-8-20(27-14-15)29-24(32)21-19(9-12-33-21)28-23(31)17-7-6-16(13-18(17)25)22(26)30-10-3-2-4-11-30/h5-9,12-14,26H,2-4,10-11H2,1H3,(H,28,31)(H,27,29,32)/b26-22-
InChIKeyNWORFGBOVYWOQD-ROMGYVFFSA-N
MW465.55 g/mol
LogP4.91
Rot. Bonds5

About 3-[[2-fluoro-4-(piperidine-1-carboximidoyl)benzoyl]amino]-N-(5-methyl-2-pyridinyl)thiophene-2-carboxamide

3-[[2-fluoro-4-(piperidine-1-carboximidoyl)benzoyl]amino]-N-(5-methyl-2-pyridinyl)thiophene-2-carboxamide (PubChem CID 70670839) has the molecular formula C24H24FN5O2S and a molecular weight of 465.55 g/mol. Its IUPAC name is 3-[[2-fluoro-4-(piperidine-1-carboximidoyl)benzoyl]amino]-N-(5-methyl-2-pyridinyl)thiophene-2-carboxamide.

Molecular Properties

Compound Name3-[[2-fluoro-4-(piperidine-1-carboximidoyl)benzoyl]amino]-N-(5-methyl-2-pyridinyl)thiophene-2-carboxamide
PubChem CID70670839
Molecular FormulaC24H24FN5O2S
Molecular Weight465.55 g/mol
Exact Mass465.16
IUPAC Name3-[[2-fluoro-4-(piperidine-1-carboximidoyl)benzoyl]amino]-N-(5-methyl-2-pyridinyl)thiophene-2-carboxamide
SMILES[H]/N=C(/c1ccc(C(=O)Nc2ccsc2C(=O)Nc2ccc(C)cn2)c(F)c1)N1CCCCC1
InChIInChI=1S/C24H24FN5O2S/c1-15-5-8-20(27-14-15)29-24(32)21-19(9-12-33-21)28-23(31)17-7-6-16(13-18(17)25)22(26)30-10-3-2-4-11-30/h5-9,12-14,26H,2-4,10-11H2,1H3,(H,28,31)(H,27,29,32)/b26-22-
InChIKeyNWORFGBOVYWOQD-ROMGYVFFSA-N
XLogP4.91
TPSA98.18 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.55
LogP ≤ 54.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[[2-fluoro-4-(piperidine-1-carboximidoyl)benzoyl]amino]-N-(5-methyl-2-pyridinyl)thiophene-2-carboxamide?
The IUPAC name of 3-[[2-fluoro-4-(piperidine-1-carboximidoyl)benzoyl]amino]-N-(5-methyl-2-pyridinyl)thiophene-2-carboxamide (CID 70670839) is 3-[[2-fluoro-4-(piperidine-1-carboximidoyl)benzoyl]amino]-N-(5-methyl-2-pyridinyl)thiophene-2-carboxamide.
What is the SMILES notation for 3-[[2-fluoro-4-(piperidine-1-carboximidoyl)benzoyl]amino]-N-(5-methyl-2-pyridinyl)thiophene-2-carboxamide?
The canonical SMILES for 3-[[2-fluoro-4-(piperidine-1-carboximidoyl)benzoyl]amino]-N-(5-methyl-2-pyridinyl)thiophene-2-carboxamide is [H]/N=C(/c1ccc(C(=O)Nc2ccsc2C(=O)Nc2ccc(C)cn2)c(F)c1)N1CCCCC1.
What is the InChIKey of 3-[[2-fluoro-4-(piperidine-1-carboximidoyl)benzoyl]amino]-N-(5-methyl-2-pyridinyl)thiophene-2-carboxamide?
The InChIKey is NWORFGBOVYWOQD-ROMGYVFFSA-N. The full InChI is InChI=1S/C24H24FN5O2S/c1-15-5-8-20(27-14-15)29-24(32)21-19(9-12-33-21)28-23(31)17-7-6-16(13-18(17)25)22(26)30-10-3-2-4-11-30/h5-9,12-14,26H,2-4,10-11H2,1H3,(H,28,31)(H,27,29,32)/b26-22-.
What are the key properties of 3-[[2-fluoro-4-(piperidine-1-carboximidoyl)benzoyl]amino]-N-(5-methyl-2-pyridinyl)thiophene-2-carboxamide?
3-[[2-fluoro-4-(piperidine-1-carboximidoyl)benzoyl]amino]-N-(5-methyl-2-pyridinyl)thiophene-2-carboxamide has a molecular weight of 465.55 g/mol, XLogP of 4.91, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-fluoro-4-(piperidine-1-carboximidoyl)benzoyl]amino]-N-(5-methyl-2-pyridinyl)thiophene-2-carboxamide is sourced from PubChem (CID 70670839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).