N-[3-[(thiophene-2-carbonylamino)methyl]phenyl]pyridine-3-carboxamide

C18H15N3O2S — CID 108926382

IUPACN-[3-[(thiophene-2-carbonylamino)methyl]phenyl]pyridine-3-carboxamide
SMILESO=C(Nc1cccc(CNC(=O)c2cccs2)c1)c1cccnc1
InChIInChI=1S/C18H15N3O2S/c22-17(14-5-2-8-19-12-14)21-15-6-1-4-13(10-15)11-20-18(23)16-7-3-9-24-16/h1-10,12H,11H2,(H,20,23)(H,21,22)
InChIKeyGGZMPZJRJSDJSB-UHFFFAOYSA-N
MW337.40 g/mol
LogP3.33
Rot. Bonds5

About N-[3-[(thiophene-2-carbonylamino)methyl]phenyl]pyridine-3-carboxamide

N-[3-[(thiophene-2-carbonylamino)methyl]phenyl]pyridine-3-carboxamide (PubChem CID 108926382) has the molecular formula C18H15N3O2S and a molecular weight of 337.40 g/mol. Its IUPAC name is N-[3-[(thiophene-2-carbonylamino)methyl]phenyl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[3-[(thiophene-2-carbonylamino)methyl]phenyl]pyridine-3-carboxamide
PubChem CID108926382
Molecular FormulaC18H15N3O2S
Molecular Weight337.40 g/mol
Exact Mass337.09
IUPAC NameN-[3-[(thiophene-2-carbonylamino)methyl]phenyl]pyridine-3-carboxamide
SMILESO=C(Nc1cccc(CNC(=O)c2cccs2)c1)c1cccnc1
InChIInChI=1S/C18H15N3O2S/c22-17(14-5-2-8-19-12-14)21-15-6-1-4-13(10-15)11-20-18(23)16-7-3-9-24-16/h1-10,12H,11H2,(H,20,23)(H,21,22)
InChIKeyGGZMPZJRJSDJSB-UHFFFAOYSA-N
XLogP3.33
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.40
LogP ≤ 53.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-[(pyridine-4-carbonylamino)methyl]phenyl]pyridine-3-carboxamide
CID 108926411
N-[3-[[(2-thiophen-2-ylacetyl)amino]methyl]phenyl]pyridine-3-carboxamide
CID 108926355
N-[3-[[(2-phenylacetyl)amino]methyl]phenyl]pyridine-3-carboxamide
CID 108926276
N-[3-[[(4-tert-butylbenzoyl)amino]methyl]phenyl]pyridine-3-carboxamide
CID 108926353
N-[[3-(propanoylamino)phenyl]methyl]pyridine-3-carboxamide
CID 108926394
N-[3-(benzamidomethyl)phenyl]pyridine-4-carboxamide
CID 166187411
N-[3-[(3-methoxypropanoylamino)methyl]phenyl]pyridine-3-carboxamide
CID 108926397
N-[3-[[[2-(3-methoxyphenyl)acetyl]amino]methyl]phenyl]pyridine-3-carboxamide
CID 108926458
N-[3-[(cyclohexanecarbonylamino)methyl]phenyl]pyridine-3-carboxamide
CID 108926249
N-[[3-[(2,3,4-trifluorobenzoyl)amino]phenyl]methyl]pyridine-3-carboxamide
CID 108926408
N-[3-[[[(E)-3-phenylprop-2-enoyl]amino]methyl]phenyl]pyridine-3-carboxamide
CID 108926500
N-[3-[[(2-cyclopentylacetyl)amino]methyl]phenyl]pyridine-3-carboxamide
CID 108926494

Frequently Asked Questions

What is the IUPAC name of N-[3-[(thiophene-2-carbonylamino)methyl]phenyl]pyridine-3-carboxamide?
The IUPAC name of N-[3-[(thiophene-2-carbonylamino)methyl]phenyl]pyridine-3-carboxamide (CID 108926382) is N-[3-[(thiophene-2-carbonylamino)methyl]phenyl]pyridine-3-carboxamide.
What is the SMILES notation for N-[3-[(thiophene-2-carbonylamino)methyl]phenyl]pyridine-3-carboxamide?
The canonical SMILES for N-[3-[(thiophene-2-carbonylamino)methyl]phenyl]pyridine-3-carboxamide is O=C(Nc1cccc(CNC(=O)c2cccs2)c1)c1cccnc1.
What is the InChIKey of N-[3-[(thiophene-2-carbonylamino)methyl]phenyl]pyridine-3-carboxamide?
The InChIKey is GGZMPZJRJSDJSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N3O2S/c22-17(14-5-2-8-19-12-14)21-15-6-1-4-13(10-15)11-20-18(23)16-7-3-9-24-16/h1-10,12H,11H2,(H,20,23)(H,21,22).
What are the key properties of N-[3-[(thiophene-2-carbonylamino)methyl]phenyl]pyridine-3-carboxamide?
N-[3-[(thiophene-2-carbonylamino)methyl]phenyl]pyridine-3-carboxamide has a molecular weight of 337.40 g/mol, XLogP of 3.33, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(thiophene-2-carbonylamino)methyl]phenyl]pyridine-3-carboxamide is sourced from PubChem (CID 108926382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).