N-[4-methoxy-3-(pyridin-3-ylmethoxy)phenyl]-2-sulfanylidene-1H-pyridine-3-carboxamide

C19H17N3O3S — CID 38627115

IUPACN-[4-methoxy-3-(pyridin-3-ylmethoxy)phenyl]-2-sulfanylidene-1H-pyridine-3-carboxamide
SMILESCOc1ccc(NC(=O)c2ccc[nH]c2=S)cc1OCc1cccnc1
InChIInChI=1S/C19H17N3O3S/c1-24-16-7-6-14(22-18(23)15-5-3-9-21-19(15)26)10-17(16)25-12-13-4-2-8-20-11-13/h2-11H,12H2,1H3,(H,21,26)(H,22,23)
InChIKeyOUEDBZJWKGEWQH-UHFFFAOYSA-N
MW367.43 g/mol
LogP3.98
Rot. Bonds6

About N-[4-methoxy-3-(pyridin-3-ylmethoxy)phenyl]-2-sulfanylidene-1H-pyridine-3-carboxamide

N-[4-methoxy-3-(pyridin-3-ylmethoxy)phenyl]-2-sulfanylidene-1H-pyridine-3-carboxamide (PubChem CID 38627115) has the molecular formula C19H17N3O3S and a molecular weight of 367.43 g/mol. Its IUPAC name is N-[4-methoxy-3-(pyridin-3-ylmethoxy)phenyl]-2-sulfanylidene-1H-pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[4-methoxy-3-(pyridin-3-ylmethoxy)phenyl]-2-sulfanylidene-1H-pyridine-3-carboxamide
PubChem CID38627115
Molecular FormulaC19H17N3O3S
Molecular Weight367.43 g/mol
Exact Mass367.10
IUPAC NameN-[4-methoxy-3-(pyridin-3-ylmethoxy)phenyl]-2-sulfanylidene-1H-pyridine-3-carboxamide
SMILESCOc1ccc(NC(=O)c2ccc[nH]c2=S)cc1OCc1cccnc1
InChIInChI=1S/C19H17N3O3S/c1-24-16-7-6-14(22-18(23)15-5-3-9-21-19(15)26)10-17(16)25-12-13-4-2-8-20-11-13/h2-11H,12H2,1H3,(H,21,26)(H,22,23)
InChIKeyOUEDBZJWKGEWQH-UHFFFAOYSA-N
XLogP3.98
TPSA76.24 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.43
LogP ≤ 53.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[3-(2-amino-2-oxoethoxy)-4-methoxyphenyl]-2-sulfanylidene-1H-pyridine-3-carboxamide
CID 47057728
2-chloro-4,5-difluoro-N-[4-methoxy-3-(pyridin-3-ylmethoxy)phenyl]benzamide
CID 55643410
3,4-diethoxy-N-[4-methoxy-3-(pyridin-3-ylmethoxy)phenyl]benzamide
CID 46426672
2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[4-methoxy-3-(pyridin-3-ylmethoxy)phenyl]benzamide
CID 43069775
N-[4-methoxy-3-(pyridin-3-ylmethoxy)phenyl]-6-oxo-1H-pyridazine-3-carboxamide
CID 43069771
N-(3-benzyl-4-methoxyphenyl)-2-sulfanylidene-1H-pyridine-3-carboxamide
CID 18206628
N-[4-methoxy-3-(pyridin-3-ylmethoxy)phenyl]-2-methylbutanamide
CID 42958626
N-[4-methoxy-3-(pyridin-3-ylmethoxy)phenyl]-6,7,8,9-tetrahydro-5H-carbazole-1-carboxamide
CID 55644369
N-[4-methoxy-3-(pyridin-3-ylmethoxy)phenyl]-4-(2,2,2-trifluoroethoxy)benzamide
CID 38628144
2-(2,4-dimethoxyphenyl)-N-[4-methoxy-3-(pyridin-3-ylmethoxy)phenyl]acetamide
CID 43069801
3-(4-methoxyphenyl)-N-[4-methoxy-3-(pyridin-3-ylmethoxy)phenyl]propanamide
CID 43069846
N-[4-methoxy-3-(pyridin-3-ylmethoxy)phenyl]-5-methyl-1-(3-methylphenyl)pyrazole-4-carboxamide
CID 46427978

Frequently Asked Questions

What is the IUPAC name of N-[4-methoxy-3-(pyridin-3-ylmethoxy)phenyl]-2-sulfanylidene-1H-pyridine-3-carboxamide?
The IUPAC name of N-[4-methoxy-3-(pyridin-3-ylmethoxy)phenyl]-2-sulfanylidene-1H-pyridine-3-carboxamide (CID 38627115) is N-[4-methoxy-3-(pyridin-3-ylmethoxy)phenyl]-2-sulfanylidene-1H-pyridine-3-carboxamide.
What is the SMILES notation for N-[4-methoxy-3-(pyridin-3-ylmethoxy)phenyl]-2-sulfanylidene-1H-pyridine-3-carboxamide?
The canonical SMILES for N-[4-methoxy-3-(pyridin-3-ylmethoxy)phenyl]-2-sulfanylidene-1H-pyridine-3-carboxamide is COc1ccc(NC(=O)c2ccc[nH]c2=S)cc1OCc1cccnc1.
What is the InChIKey of N-[4-methoxy-3-(pyridin-3-ylmethoxy)phenyl]-2-sulfanylidene-1H-pyridine-3-carboxamide?
The InChIKey is OUEDBZJWKGEWQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N3O3S/c1-24-16-7-6-14(22-18(23)15-5-3-9-21-19(15)26)10-17(16)25-12-13-4-2-8-20-11-13/h2-11H,12H2,1H3,(H,21,26)(H,22,23).
What are the key properties of N-[4-methoxy-3-(pyridin-3-ylmethoxy)phenyl]-2-sulfanylidene-1H-pyridine-3-carboxamide?
N-[4-methoxy-3-(pyridin-3-ylmethoxy)phenyl]-2-sulfanylidene-1H-pyridine-3-carboxamide has a molecular weight of 367.43 g/mol, XLogP of 3.98, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-methoxy-3-(pyridin-3-ylmethoxy)phenyl]-2-sulfanylidene-1H-pyridine-3-carboxamide is sourced from PubChem (CID 38627115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).