N-(5-chloro-2-pyridinyl)-3-[2-[4-(2-methylpyrrolidine-1-carboximidoyl)phenyl]-2-oxoethyl]thiophene-2-carboxamide

C24H23ClN4O2S — CID 147620509

IUPACN-(5-chloro-2-pyridinyl)-3-[2-[4-(2-methylpyrrolidine-1-carboximidoyl)phenyl]-2-oxoethyl]thiophene-2-carboxamide
SMILES[H]/N=C(/c1ccc(C(=O)Cc2ccsc2C(=O)Nc2ccc(Cl)cn2)cc1)N1CCCC1C
InChIInChI=1S/C24H23ClN4O2S/c1-15-3-2-11-29(15)23(26)17-6-4-16(5-7-17)20(30)13-18-10-12-32-22(18)24(31)28-21-9-8-19(25)14-27-21/h4-10,12,14-15,26H,2-3,11,13H2,1H3,(H,27,28,31)/b26-23-
InChIKeyGDTUBTRQLLTXSA-RWEWTDSWSA-N
MW466.99 g/mol
LogP5.28
Rot. Bonds6

About N-(5-chloro-2-pyridinyl)-3-[2-[4-(2-methylpyrrolidine-1-carboximidoyl)phenyl]-2-oxoethyl]thiophene-2-carboxamide

N-(5-chloro-2-pyridinyl)-3-[2-[4-(2-methylpyrrolidine-1-carboximidoyl)phenyl]-2-oxoethyl]thiophene-2-carboxamide (PubChem CID 147620509) has the molecular formula C24H23ClN4O2S and a molecular weight of 466.99 g/mol. Its IUPAC name is N-(5-chloro-2-pyridinyl)-3-[2-[4-(2-methylpyrrolidine-1-carboximidoyl)phenyl]-2-oxoethyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-(5-chloro-2-pyridinyl)-3-[2-[4-(2-methylpyrrolidine-1-carboximidoyl)phenyl]-2-oxoethyl]thiophene-2-carboxamide
PubChem CID147620509
Molecular FormulaC24H23ClN4O2S
Molecular Weight466.99 g/mol
Exact Mass466.12
IUPAC NameN-(5-chloro-2-pyridinyl)-3-[2-[4-(2-methylpyrrolidine-1-carboximidoyl)phenyl]-2-oxoethyl]thiophene-2-carboxamide
SMILES[H]/N=C(/c1ccc(C(=O)Cc2ccsc2C(=O)Nc2ccc(Cl)cn2)cc1)N1CCCC1C
InChIInChI=1S/C24H23ClN4O2S/c1-15-3-2-11-29(15)23(26)17-6-4-16(5-7-17)20(30)13-18-10-12-32-22(18)24(31)28-21-9-8-19(25)14-27-21/h4-10,12,14-15,26H,2-3,11,13H2,1H3,(H,27,28,31)/b26-23-
InChIKeyGDTUBTRQLLTXSA-RWEWTDSWSA-N
XLogP5.28
TPSA86.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500466.99
LogP ≤ 55.28
H-Bond Donors ≤ 52
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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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-pyridinyl)-3-[2-[4-(2-methylpyrrolidine-1-carboximidoyl)phenyl]-2-oxoethyl]thiophene-2-carboxamide?
The IUPAC name of N-(5-chloro-2-pyridinyl)-3-[2-[4-(2-methylpyrrolidine-1-carboximidoyl)phenyl]-2-oxoethyl]thiophene-2-carboxamide (CID 147620509) is N-(5-chloro-2-pyridinyl)-3-[2-[4-(2-methylpyrrolidine-1-carboximidoyl)phenyl]-2-oxoethyl]thiophene-2-carboxamide.
What is the SMILES notation for N-(5-chloro-2-pyridinyl)-3-[2-[4-(2-methylpyrrolidine-1-carboximidoyl)phenyl]-2-oxoethyl]thiophene-2-carboxamide?
The canonical SMILES for N-(5-chloro-2-pyridinyl)-3-[2-[4-(2-methylpyrrolidine-1-carboximidoyl)phenyl]-2-oxoethyl]thiophene-2-carboxamide is [H]/N=C(/c1ccc(C(=O)Cc2ccsc2C(=O)Nc2ccc(Cl)cn2)cc1)N1CCCC1C.
What is the InChIKey of N-(5-chloro-2-pyridinyl)-3-[2-[4-(2-methylpyrrolidine-1-carboximidoyl)phenyl]-2-oxoethyl]thiophene-2-carboxamide?
The InChIKey is GDTUBTRQLLTXSA-RWEWTDSWSA-N. The full InChI is InChI=1S/C24H23ClN4O2S/c1-15-3-2-11-29(15)23(26)17-6-4-16(5-7-17)20(30)13-18-10-12-32-22(18)24(31)28-21-9-8-19(25)14-27-21/h4-10,12,14-15,26H,2-3,11,13H2,1H3,(H,27,28,31)/b26-23-.
What are the key properties of N-(5-chloro-2-pyridinyl)-3-[2-[4-(2-methylpyrrolidine-1-carboximidoyl)phenyl]-2-oxoethyl]thiophene-2-carboxamide?
N-(5-chloro-2-pyridinyl)-3-[2-[4-(2-methylpyrrolidine-1-carboximidoyl)phenyl]-2-oxoethyl]thiophene-2-carboxamide has a molecular weight of 466.99 g/mol, XLogP of 5.28, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-pyridinyl)-3-[2-[4-(2-methylpyrrolidine-1-carboximidoyl)phenyl]-2-oxoethyl]thiophene-2-carboxamide is sourced from PubChem (CID 147620509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).