N-[3-[5-(1H-benzimidazol-2-yl)thiophen-3-yl]phenyl]pyridine-4-carboxamide

C23H16N4OS — CID 44523952

IUPACN-[3-[5-(1H-benzimidazol-2-yl)thiophen-3-yl]phenyl]pyridine-4-carboxamide
SMILESO=C(Nc1cccc(-c2csc(-c3nc4ccccc4[nH]3)c2)c1)c1ccncc1
InChIInChI=1S/C23H16N4OS/c28-23(15-8-10-24-11-9-15)25-18-5-3-4-16(12-18)17-13-21(29-14-17)22-26-19-6-1-2-7-20(19)27-22/h1-14H,(H,25,28)(H,26,27)
InChIKeyJQRHYULDEPAETK-UHFFFAOYSA-N
MW396.48 g/mol
LogP5.61
Rot. Bonds4

About N-[3-[5-(1H-benzimidazol-2-yl)thiophen-3-yl]phenyl]pyridine-4-carboxamide

N-[3-[5-(1H-benzimidazol-2-yl)thiophen-3-yl]phenyl]pyridine-4-carboxamide (PubChem CID 44523952) has the molecular formula C23H16N4OS and a molecular weight of 396.48 g/mol. Its IUPAC name is N-[3-[5-(1H-benzimidazol-2-yl)thiophen-3-yl]phenyl]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[3-[5-(1H-benzimidazol-2-yl)thiophen-3-yl]phenyl]pyridine-4-carboxamide
PubChem CID44523952
Molecular FormulaC23H16N4OS
Molecular Weight396.48 g/mol
Exact Mass396.10
IUPAC NameN-[3-[5-(1H-benzimidazol-2-yl)thiophen-3-yl]phenyl]pyridine-4-carboxamide
SMILESO=C(Nc1cccc(-c2csc(-c3nc4ccccc4[nH]3)c2)c1)c1ccncc1
InChIInChI=1S/C23H16N4OS/c28-23(15-8-10-24-11-9-15)25-18-5-3-4-16(12-18)17-13-21(29-14-17)22-26-19-6-1-2-7-20(19)27-22/h1-14H,(H,25,28)(H,26,27)
InChIKeyJQRHYULDEPAETK-UHFFFAOYSA-N
XLogP5.61
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500396.48
LogP ≤ 55.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

HI-Topk-032
CID 1936439
N-(3-(3-methylimidazo[1,2-a]pyrimidin-2-yl)phenyl)thiophene-2-carboxamide
CID 7080336
N-[(2E)-5-[benzene(methyl)amido]-1-(2-carbamoylethyl)-2,3-dihydro-1H-1,3-benzodiazol-2-ylidene]-5-(pyridin-2-yl)thiophene-2-carboxamide
CID 11237786
N-[(2E)-5-[benzene(methyl)amido]-1-(2-carbamoylethyl)-2,3-dihydro-1H-1,3-benzodiazol-2-ylidene]-5-(pyridin-4-yl)thiophene-2-carboxamide
CID 11489351
N-[(2E)-5-[benzene(methyl)amido]-1-(2-carbamoylethyl)-2,3-dihydro-1H-1,3-benzodiazol-2-ylidene]-5-(pyridin-3-yl)thiophene-2-carboxamide
CID 25190527
N-[(2E)-5-[benzene(methyl)amido]-1-(2-carbamoylethyl)-2,3-dihydro-1H-1,3-benzodiazol-2-ylidene]-5-(pyrazin-2-yl)thiophene-2-carboxamide
CID 25190535
N-[(2E)-5-[benzene(methyl)amido]-1-(2-carbamoylethyl)-2,3-dihydro-1H-1,3-benzodiazol-2-ylidene]-5-(2-fluoropyridin-4-yl)thiophene-2-carboxamide
CID 25190541
N-[(2E)-5-[benzene(methyl)amido]-1-(2-carbamoylethyl)-2,3-dihydro-1H-1,3-benzodiazol-2-ylidene]-5-(6-fluoropyridin-3-yl)thiophene-2-carboxamide
CID 25190543
N-(Pyridin-3-Yl)-2-(Thiophen-3-Yl)-3h-Imidazo[4,5-B]pyridine-7-Carboxamide
CID 56603827
N-Cyclopropyl-4-{8-[(Thiophen-2-Ylmethyl)amino]imidazo[1,2-A]pyrazin-3-Yl}benzamide
CID 57382314
5-(2-amino-4-pyridinyl)-N-[1-(6-prop-2-enoyl-6-azaspiro[3.4]octan-2-yl)benzimidazol-2-yl]thiophene-2-carboxamide
CID 134277647
5-[2-(methylamino)-4-pyridinyl]-N-[1-(6-prop-2-enoyl-6-azaspiro[3.4]octan-2-yl)benzimidazol-2-yl]thiophene-2-carboxamide
CID 134277654

Frequently Asked Questions

What is the IUPAC name of N-[3-[5-(1H-benzimidazol-2-yl)thiophen-3-yl]phenyl]pyridine-4-carboxamide?
The IUPAC name of N-[3-[5-(1H-benzimidazol-2-yl)thiophen-3-yl]phenyl]pyridine-4-carboxamide (CID 44523952) is N-[3-[5-(1H-benzimidazol-2-yl)thiophen-3-yl]phenyl]pyridine-4-carboxamide.
What is the SMILES notation for N-[3-[5-(1H-benzimidazol-2-yl)thiophen-3-yl]phenyl]pyridine-4-carboxamide?
The canonical SMILES for N-[3-[5-(1H-benzimidazol-2-yl)thiophen-3-yl]phenyl]pyridine-4-carboxamide is O=C(Nc1cccc(-c2csc(-c3nc4ccccc4[nH]3)c2)c1)c1ccncc1.
What is the InChIKey of N-[3-[5-(1H-benzimidazol-2-yl)thiophen-3-yl]phenyl]pyridine-4-carboxamide?
The InChIKey is JQRHYULDEPAETK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16N4OS/c28-23(15-8-10-24-11-9-15)25-18-5-3-4-16(12-18)17-13-21(29-14-17)22-26-19-6-1-2-7-20(19)27-22/h1-14H,(H,25,28)(H,26,27).
What are the key properties of N-[3-[5-(1H-benzimidazol-2-yl)thiophen-3-yl]phenyl]pyridine-4-carboxamide?
N-[3-[5-(1H-benzimidazol-2-yl)thiophen-3-yl]phenyl]pyridine-4-carboxamide has a molecular weight of 396.48 g/mol, XLogP of 5.61, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[5-(1H-benzimidazol-2-yl)thiophen-3-yl]phenyl]pyridine-4-carboxamide is sourced from PubChem (CID 44523952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).