N-[[3-(cyclohexanecarbonylamino)phenyl]methyl]-2-sulfanylidene-1H-pyridine-3-carboxamide

C20H23N3O2S — CID 71884647

IUPACN-[[3-(cyclohexanecarbonylamino)phenyl]methyl]-2-sulfanylidene-1H-pyridine-3-carboxamide
SMILESO=C(NCc1cccc(NC(=O)C2CCCCC2)c1)c1ccc[nH]c1=S
InChIInChI=1S/C20H23N3O2S/c24-18(15-7-2-1-3-8-15)23-16-9-4-6-14(12-16)13-22-19(25)17-10-5-11-21-20(17)26/h4-6,9-12,15H,1-3,7-8,13H2,(H,21,26)(H,22,25)(H,23,24)
InChIKeyGRSOPLBBXFAZMM-UHFFFAOYSA-N
MW369.49 g/mol
LogP4.19
Rot. Bonds5

About N-[[3-(cyclohexanecarbonylamino)phenyl]methyl]-2-sulfanylidene-1H-pyridine-3-carboxamide

N-[[3-(cyclohexanecarbonylamino)phenyl]methyl]-2-sulfanylidene-1H-pyridine-3-carboxamide (PubChem CID 71884647) has the molecular formula C20H23N3O2S and a molecular weight of 369.49 g/mol. Its IUPAC name is N-[[3-(cyclohexanecarbonylamino)phenyl]methyl]-2-sulfanylidene-1H-pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[[3-(cyclohexanecarbonylamino)phenyl]methyl]-2-sulfanylidene-1H-pyridine-3-carboxamide
PubChem CID71884647
Molecular FormulaC20H23N3O2S
Molecular Weight369.49 g/mol
Exact Mass369.15
IUPAC NameN-[[3-(cyclohexanecarbonylamino)phenyl]methyl]-2-sulfanylidene-1H-pyridine-3-carboxamide
SMILESO=C(NCc1cccc(NC(=O)C2CCCCC2)c1)c1ccc[nH]c1=S
InChIInChI=1S/C20H23N3O2S/c24-18(15-7-2-1-3-8-15)23-16-9-4-6-14(12-16)13-22-19(25)17-10-5-11-21-20(17)26/h4-6,9-12,15H,1-3,7-8,13H2,(H,21,26)(H,22,25)(H,23,24)
InChIKeyGRSOPLBBXFAZMM-UHFFFAOYSA-N
XLogP4.19
TPSA73.99 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.49
LogP ≤ 54.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

2-amino-N-[[3-(cyclobutanecarbonylamino)phenyl]methyl]benzamide
CID 119944325
N-[(3-acetamidophenyl)methyl]-3-(cyclohexanecarbonylamino)benzamide
CID 39575427
N-[[3-(cyclopropanecarbonylamino)phenyl]methyl]-2-fluorobenzamide
CID 17498569
N-[[3-(cyclopentanecarbonylamino)phenyl]methyl]-2,5-dimethoxybenzamide
CID 55894677
N-[[3-(cyclopentanecarbonylamino)phenyl]methyl]piperidine-4-carboxamide;hydrochloride
CID 119299314
3-(cyclohexanecarbonylamino)-N-[(3-methoxyphenyl)methyl]benzamide
CID 39906130
4-amino-N-[[3-(cyclopentanecarbonylamino)phenyl]methyl]benzamide
CID 119741595
N-[3-(chloromethyl)phenyl]cyclooctanecarboxamide
CID 114293358
4-acetamido-N-[[3-(cyclopentanecarbonylamino)phenyl]methyl]benzamide
CID 60535462
N-[3-[[[2-(4-aminophenyl)acetyl]amino]methyl]phenyl]cyclohexanecarboxamide;hydrochloride
CID 119738924
N-[3-[[[3-(cyclohexanecarbonylamino)benzoyl]amino]methyl]phenyl]pyrrolidine-1-carboxamide
CID 55862384
N-[[3-(cyclopentanecarbonylamino)phenyl]methyl]-4-nitrobenzamide
CID 47063709

Frequently Asked Questions

What is the IUPAC name of N-[[3-(cyclohexanecarbonylamino)phenyl]methyl]-2-sulfanylidene-1H-pyridine-3-carboxamide?
The IUPAC name of N-[[3-(cyclohexanecarbonylamino)phenyl]methyl]-2-sulfanylidene-1H-pyridine-3-carboxamide (CID 71884647) is N-[[3-(cyclohexanecarbonylamino)phenyl]methyl]-2-sulfanylidene-1H-pyridine-3-carboxamide.
What is the SMILES notation for N-[[3-(cyclohexanecarbonylamino)phenyl]methyl]-2-sulfanylidene-1H-pyridine-3-carboxamide?
The canonical SMILES for N-[[3-(cyclohexanecarbonylamino)phenyl]methyl]-2-sulfanylidene-1H-pyridine-3-carboxamide is O=C(NCc1cccc(NC(=O)C2CCCCC2)c1)c1ccc[nH]c1=S.
What is the InChIKey of N-[[3-(cyclohexanecarbonylamino)phenyl]methyl]-2-sulfanylidene-1H-pyridine-3-carboxamide?
The InChIKey is GRSOPLBBXFAZMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O2S/c24-18(15-7-2-1-3-8-15)23-16-9-4-6-14(12-16)13-22-19(25)17-10-5-11-21-20(17)26/h4-6,9-12,15H,1-3,7-8,13H2,(H,21,26)(H,22,25)(H,23,24).
What are the key properties of N-[[3-(cyclohexanecarbonylamino)phenyl]methyl]-2-sulfanylidene-1H-pyridine-3-carboxamide?
N-[[3-(cyclohexanecarbonylamino)phenyl]methyl]-2-sulfanylidene-1H-pyridine-3-carboxamide has a molecular weight of 369.49 g/mol, XLogP of 4.19, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(cyclohexanecarbonylamino)phenyl]methyl]-2-sulfanylidene-1H-pyridine-3-carboxamide is sourced from PubChem (CID 71884647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).