N-(4-chlorophenyl)-3-(pyridin-4-ylmethylamino)thiophene-2-carboxamide

C17H14ClN3OS — CID 10291174

IUPACN-(4-chlorophenyl)-3-(pyridin-4-ylmethylamino)thiophene-2-carboxamide
SMILESO=C(Nc1ccc(Cl)cc1)c1sccc1NCc1ccncc1
InChIInChI=1S/C17H14ClN3OS/c18-13-1-3-14(4-2-13)21-17(22)16-15(7-10-23-16)20-11-12-5-8-19-9-6-12/h1-10,20H,11H2,(H,21,22)
InChIKeyLXJWXTCBXDALRB-UHFFFAOYSA-N
MW343.84 g/mol
LogP4.66
Rot. Bonds5

About N-(4-chlorophenyl)-3-(pyridin-4-ylmethylamino)thiophene-2-carboxamide

N-(4-chlorophenyl)-3-(pyridin-4-ylmethylamino)thiophene-2-carboxamide (PubChem CID 10291174) has the molecular formula C17H14ClN3OS and a molecular weight of 343.84 g/mol. Its IUPAC name is N-(4-chlorophenyl)-3-(pyridin-4-ylmethylamino)thiophene-2-carboxamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-3-(pyridin-4-ylmethylamino)thiophene-2-carboxamide
PubChem CID10291174
Molecular FormulaC17H14ClN3OS
Molecular Weight343.84 g/mol
Exact Mass343.05
IUPAC NameN-(4-chlorophenyl)-3-(pyridin-4-ylmethylamino)thiophene-2-carboxamide
SMILESO=C(Nc1ccc(Cl)cc1)c1sccc1NCc1ccncc1
InChIInChI=1S/C17H14ClN3OS/c18-13-1-3-14(4-2-13)21-17(22)16-15(7-10-23-16)20-11-12-5-8-19-9-6-12/h1-10,20H,11H2,(H,21,22)
InChIKeyLXJWXTCBXDALRB-UHFFFAOYSA-N
XLogP4.66
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.84
LogP ≤ 54.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-3-(pyridin-4-ylmethylamino)thiophene-2-carboxamide?
The IUPAC name of N-(4-chlorophenyl)-3-(pyridin-4-ylmethylamino)thiophene-2-carboxamide (CID 10291174) is N-(4-chlorophenyl)-3-(pyridin-4-ylmethylamino)thiophene-2-carboxamide.
What is the SMILES notation for N-(4-chlorophenyl)-3-(pyridin-4-ylmethylamino)thiophene-2-carboxamide?
The canonical SMILES for N-(4-chlorophenyl)-3-(pyridin-4-ylmethylamino)thiophene-2-carboxamide is O=C(Nc1ccc(Cl)cc1)c1sccc1NCc1ccncc1.
What is the InChIKey of N-(4-chlorophenyl)-3-(pyridin-4-ylmethylamino)thiophene-2-carboxamide?
The InChIKey is LXJWXTCBXDALRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14ClN3OS/c18-13-1-3-14(4-2-13)21-17(22)16-15(7-10-23-16)20-11-12-5-8-19-9-6-12/h1-10,20H,11H2,(H,21,22).
What are the key properties of N-(4-chlorophenyl)-3-(pyridin-4-ylmethylamino)thiophene-2-carboxamide?
N-(4-chlorophenyl)-3-(pyridin-4-ylmethylamino)thiophene-2-carboxamide has a molecular weight of 343.84 g/mol, XLogP of 4.66, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-3-(pyridin-4-ylmethylamino)thiophene-2-carboxamide is sourced from PubChem (CID 10291174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).