2-oxo-N-[[4-(pyridine-3-carbonylamino)phenyl]methyl]-6-thiophen-2-yl-1H-pyridine-3-carboxamide

C23H18N4O3S — CID 167864711

IUPAC2-oxo-N-[[4-(pyridine-3-carbonylamino)phenyl]methyl]-6-thiophen-2-yl-1H-pyridine-3-carboxamide
SMILESO=C(Nc1ccc(CNC(=O)c2ccc(-c3cccs3)[nH]c2=O)cc1)c1cccnc1
InChIInChI=1S/C23H18N4O3S/c28-21(16-3-1-11-24-14-16)26-17-7-5-15(6-8-17)13-25-22(29)18-9-10-19(27-23(18)30)20-4-2-12-31-20/h1-12,14H,13H2,(H,25,29)(H,26,28)(H,27,30)
InChIKeyYCTUQBVNARCVKL-UHFFFAOYSA-N
MW430.49 g/mol
LogP3.68
Rot. Bonds6

About 2-oxo-N-[[4-(pyridine-3-carbonylamino)phenyl]methyl]-6-thiophen-2-yl-1H-pyridine-3-carboxamide

2-oxo-N-[[4-(pyridine-3-carbonylamino)phenyl]methyl]-6-thiophen-2-yl-1H-pyridine-3-carboxamide (PubChem CID 167864711) has the molecular formula C23H18N4O3S and a molecular weight of 430.49 g/mol. Its IUPAC name is 2-oxo-N-[[4-(pyridine-3-carbonylamino)phenyl]methyl]-6-thiophen-2-yl-1H-pyridine-3-carboxamide.

Molecular Properties

Compound Name2-oxo-N-[[4-(pyridine-3-carbonylamino)phenyl]methyl]-6-thiophen-2-yl-1H-pyridine-3-carboxamide
PubChem CID167864711
Molecular FormulaC23H18N4O3S
Molecular Weight430.49 g/mol
Exact Mass430.11
IUPAC Name2-oxo-N-[[4-(pyridine-3-carbonylamino)phenyl]methyl]-6-thiophen-2-yl-1H-pyridine-3-carboxamide
SMILESO=C(Nc1ccc(CNC(=O)c2ccc(-c3cccs3)[nH]c2=O)cc1)c1cccnc1
InChIInChI=1S/C23H18N4O3S/c28-21(16-3-1-11-24-14-16)26-17-7-5-15(6-8-17)13-25-22(29)18-9-10-19(27-23(18)30)20-4-2-12-31-20/h1-12,14H,13H2,(H,25,29)(H,26,28)(H,27,30)
InChIKeyYCTUQBVNARCVKL-UHFFFAOYSA-N
XLogP3.68
TPSA103.95 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.49
LogP ≤ 53.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 2-oxo-N-[[4-(pyridine-3-carbonylamino)phenyl]methyl]-6-thiophen-2-yl-1H-pyridine-3-carboxamide with MolForge

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Related Compounds

N-[3-[(thiophene-2-carbonylamino)methyl]phenyl]pyridine-3-carboxamide
CID 108926382
N-[4-[[(4-chlorobenzoyl)amino]methyl]phenyl]pyridine-3-carboxamide
CID 108925476
N-[4-[[(2-phenylacetyl)amino]methyl]phenyl]pyridine-3-carboxamide
CID 108925504
N-[[4-[(2-chlorobenzoyl)amino]phenyl]methyl]pyridine-3-carboxamide
CID 108925493
N-[3-[(5-thiophen-2-yl-1H-pyrazol-3-yl)carbamoyl]phenyl]pyridine-3-carboxamide
CID 55975946
1,3-dioxo-2-propan-2-yl-N-[4-[(pyridine-3-carbonylamino)methyl]phenyl]isoindole-5-carboxamide
CID 108925509
N-[4-[(4-oxopentanoylamino)methyl]phenyl]pyridine-3-carboxamide
CID 108925682
N-[4-[[(3,4,5-triethoxybenzoyl)amino]methyl]phenyl]pyridine-3-carboxamide
CID 108925490
N-[3-[[(2-thiophen-2-ylacetyl)amino]methyl]phenyl]pyridine-3-carboxamide
CID 108926355
N-[[4-[(3,4,5-triethoxybenzoyl)amino]phenyl]methyl]pyridine-3-carboxamide
CID 108925489
N-[3-[(pyridine-4-carbonylamino)methyl]phenyl]pyridine-3-carboxamide
CID 108926411
N-[4-[[[2-(2-fluorophenyl)acetyl]amino]methyl]phenyl]pyridine-3-carboxamide
CID 108925705

Frequently Asked Questions

What is the IUPAC name of 2-oxo-N-[[4-(pyridine-3-carbonylamino)phenyl]methyl]-6-thiophen-2-yl-1H-pyridine-3-carboxamide?
The IUPAC name of 2-oxo-N-[[4-(pyridine-3-carbonylamino)phenyl]methyl]-6-thiophen-2-yl-1H-pyridine-3-carboxamide (CID 167864711) is 2-oxo-N-[[4-(pyridine-3-carbonylamino)phenyl]methyl]-6-thiophen-2-yl-1H-pyridine-3-carboxamide.
What is the SMILES notation for 2-oxo-N-[[4-(pyridine-3-carbonylamino)phenyl]methyl]-6-thiophen-2-yl-1H-pyridine-3-carboxamide?
The canonical SMILES for 2-oxo-N-[[4-(pyridine-3-carbonylamino)phenyl]methyl]-6-thiophen-2-yl-1H-pyridine-3-carboxamide is O=C(Nc1ccc(CNC(=O)c2ccc(-c3cccs3)[nH]c2=O)cc1)c1cccnc1.
What is the InChIKey of 2-oxo-N-[[4-(pyridine-3-carbonylamino)phenyl]methyl]-6-thiophen-2-yl-1H-pyridine-3-carboxamide?
The InChIKey is YCTUQBVNARCVKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18N4O3S/c28-21(16-3-1-11-24-14-16)26-17-7-5-15(6-8-17)13-25-22(29)18-9-10-19(27-23(18)30)20-4-2-12-31-20/h1-12,14H,13H2,(H,25,29)(H,26,28)(H,27,30).
What are the key properties of 2-oxo-N-[[4-(pyridine-3-carbonylamino)phenyl]methyl]-6-thiophen-2-yl-1H-pyridine-3-carboxamide?
2-oxo-N-[[4-(pyridine-3-carbonylamino)phenyl]methyl]-6-thiophen-2-yl-1H-pyridine-3-carboxamide has a molecular weight of 430.49 g/mol, XLogP of 3.68, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxo-N-[[4-(pyridine-3-carbonylamino)phenyl]methyl]-6-thiophen-2-yl-1H-pyridine-3-carboxamide is sourced from PubChem (CID 167864711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).