N-[4-[[[2-[(4-cyanophenyl)methylsulfanyl]acetyl]amino]methyl]phenyl]pyridine-4-carboxamide

C23H20N4O2S — CID 86875214

IUPACN-[4-[[[2-[(4-cyanophenyl)methylsulfanyl]acetyl]amino]methyl]phenyl]pyridine-4-carboxamide
SMILESN#Cc1ccc(CSCC(=O)NCc2ccc(NC(=O)c3ccncc3)cc2)cc1
InChIInChI=1S/C23H20N4O2S/c24-13-17-1-3-19(4-2-17)15-30-16-22(28)26-14-18-5-7-21(8-6-18)27-23(29)20-9-11-25-12-10-20/h1-12H,14-16H2,(H,26,28)(H,27,29)
InChIKeyAOKBVACIYQCHRP-UHFFFAOYSA-N
MW416.51 g/mol
LogP3.76
Rot. Bonds8

About N-[4-[[[2-[(4-cyanophenyl)methylsulfanyl]acetyl]amino]methyl]phenyl]pyridine-4-carboxamide

N-[4-[[[2-[(4-cyanophenyl)methylsulfanyl]acetyl]amino]methyl]phenyl]pyridine-4-carboxamide (PubChem CID 86875214) has the molecular formula C23H20N4O2S and a molecular weight of 416.51 g/mol. Its IUPAC name is N-[4-[[[2-[(4-cyanophenyl)methylsulfanyl]acetyl]amino]methyl]phenyl]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[4-[[[2-[(4-cyanophenyl)methylsulfanyl]acetyl]amino]methyl]phenyl]pyridine-4-carboxamide
PubChem CID86875214
Molecular FormulaC23H20N4O2S
Molecular Weight416.51 g/mol
Exact Mass416.13
IUPAC NameN-[4-[[[2-[(4-cyanophenyl)methylsulfanyl]acetyl]amino]methyl]phenyl]pyridine-4-carboxamide
SMILESN#Cc1ccc(CSCC(=O)NCc2ccc(NC(=O)c3ccncc3)cc2)cc1
InChIInChI=1S/C23H20N4O2S/c24-13-17-1-3-19(4-2-17)15-30-16-22(28)26-14-18-5-7-21(8-6-18)27-23(29)20-9-11-25-12-10-20/h1-12H,14-16H2,(H,26,28)(H,27,29)
InChIKeyAOKBVACIYQCHRP-UHFFFAOYSA-N
XLogP3.76
TPSA94.88 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.51
LogP ≤ 53.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[4-[[[2-[(4-cyanophenyl)methylsulfanyl]acetyl]amino]methyl]phenyl]pyridine-4-carboxamide with MolForge

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Related Compounds

4-cyano-N-[4-(pyridin-4-ylmethyl)phenyl]benzamide
CID 46799159
4-N-(4-cyanophenyl)-2-N-(pyridin-4-ylmethyl)pyridine-2,4-dicarboxamide
CID 109087689
4-[(carbamoylamino)methyl]-N-(4-cyanophenyl)benzamide
CID 35614200
2-[(4-cyanophenyl)methylsulfanyl]-N-[[4-(phenylmethoxymethyl)phenyl]methyl]acetamide
CID 55766106
1-N-(4-cyanophenyl)-4-N-methyl-4-N-(2-pyridin-4-ylethyl)benzene-1,4-dicarboxamide
CID 109048122
N-[[4-[(4-fluorophenyl)carbamoyl]phenyl]methyl]pyridine-4-carboxamide
CID 71918325
N-[4-[[(3-cyanopyrazin-2-yl)amino]methyl]phenyl]pyridine-4-carboxamide
CID 133284759
N-[4-(ethylaminomethyl)phenyl]pyridine-4-carboxamide
CID 106910118
3-[4-[[2-[(4-cyanophenyl)methylsulfanyl]acetyl]amino]phenyl]-2-methylpropanoic acid
CID 120540597
2-[4-[[2-[(4-cyanophenyl)methylsulfanyl]acetyl]amino]phenoxy]acetamide
CID 55761619
4-N-(4-cyanophenyl)-2-N-(pyridin-3-ylmethyl)pyridine-2,4-dicarboxamide
CID 109087495
2-[(4-cyanophenyl)methylsulfanyl]-N-(2-phenylethyl)acetamide
CID 51168797

Frequently Asked Questions

What is the IUPAC name of N-[4-[[[2-[(4-cyanophenyl)methylsulfanyl]acetyl]amino]methyl]phenyl]pyridine-4-carboxamide?
The IUPAC name of N-[4-[[[2-[(4-cyanophenyl)methylsulfanyl]acetyl]amino]methyl]phenyl]pyridine-4-carboxamide (CID 86875214) is N-[4-[[[2-[(4-cyanophenyl)methylsulfanyl]acetyl]amino]methyl]phenyl]pyridine-4-carboxamide.
What is the SMILES notation for N-[4-[[[2-[(4-cyanophenyl)methylsulfanyl]acetyl]amino]methyl]phenyl]pyridine-4-carboxamide?
The canonical SMILES for N-[4-[[[2-[(4-cyanophenyl)methylsulfanyl]acetyl]amino]methyl]phenyl]pyridine-4-carboxamide is N#Cc1ccc(CSCC(=O)NCc2ccc(NC(=O)c3ccncc3)cc2)cc1.
What is the InChIKey of N-[4-[[[2-[(4-cyanophenyl)methylsulfanyl]acetyl]amino]methyl]phenyl]pyridine-4-carboxamide?
The InChIKey is AOKBVACIYQCHRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N4O2S/c24-13-17-1-3-19(4-2-17)15-30-16-22(28)26-14-18-5-7-21(8-6-18)27-23(29)20-9-11-25-12-10-20/h1-12H,14-16H2,(H,26,28)(H,27,29).
What are the key properties of N-[4-[[[2-[(4-cyanophenyl)methylsulfanyl]acetyl]amino]methyl]phenyl]pyridine-4-carboxamide?
N-[4-[[[2-[(4-cyanophenyl)methylsulfanyl]acetyl]amino]methyl]phenyl]pyridine-4-carboxamide has a molecular weight of 416.51 g/mol, XLogP of 3.76, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[[2-[(4-cyanophenyl)methylsulfanyl]acetyl]amino]methyl]phenyl]pyridine-4-carboxamide is sourced from PubChem (CID 86875214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).