2-ethylsulfanyl-N-[(4-hydroxy-3-methoxyphenyl)methyl]pyridine-4-carboxamide

C16H18N2O3S — CID 51091782

IUPAC2-ethylsulfanyl-N-[(4-hydroxy-3-methoxyphenyl)methyl]pyridine-4-carboxamide
SMILESCCSc1cc(C(=O)NCc2ccc(O)c(OC)c2)ccn1
InChIInChI=1S/C16H18N2O3S/c1-3-22-15-9-12(6-7-17-15)16(20)18-10-11-4-5-13(19)14(8-11)21-2/h4-9,19H,3,10H2,1-2H3,(H,18,20)
InChIKeyRBPJBVXCQDASTI-UHFFFAOYSA-N
MW318.40 g/mol
LogP2.84
Rot. Bonds6

About 2-ethylsulfanyl-N-[(4-hydroxy-3-methoxyphenyl)methyl]pyridine-4-carboxamide

2-ethylsulfanyl-N-[(4-hydroxy-3-methoxyphenyl)methyl]pyridine-4-carboxamide (PubChem CID 51091782) has the molecular formula C16H18N2O3S and a molecular weight of 318.40 g/mol. Its IUPAC name is 2-ethylsulfanyl-N-[(4-hydroxy-3-methoxyphenyl)methyl]pyridine-4-carboxamide.

Molecular Properties

Compound Name2-ethylsulfanyl-N-[(4-hydroxy-3-methoxyphenyl)methyl]pyridine-4-carboxamide
PubChem CID51091782
Molecular FormulaC16H18N2O3S
Molecular Weight318.40 g/mol
Exact Mass318.10
IUPAC Name2-ethylsulfanyl-N-[(4-hydroxy-3-methoxyphenyl)methyl]pyridine-4-carboxamide
SMILESCCSc1cc(C(=O)NCc2ccc(O)c(OC)c2)ccn1
InChIInChI=1S/C16H18N2O3S/c1-3-22-15-9-12(6-7-17-15)16(20)18-10-11-4-5-13(19)14(8-11)21-2/h4-9,19H,3,10H2,1-2H3,(H,18,20)
InChIKeyRBPJBVXCQDASTI-UHFFFAOYSA-N
XLogP2.84
TPSA71.45 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.40
LogP ≤ 52.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(4-hydroxy-3-methoxyphenyl)methyl]-3-(4-hydroxyphenyl)benzamide
CID 74233285
N-[(3,4-dihydroxyphenyl)methyl]-2-(4-hydroxy-3-methoxyphenyl)acetamide
CID 10063540
2-[3-[(4-hydroxy-3-methoxyphenyl)methylcarbamoyl]anilino]acetic acid
CID 46999868
2-N-[(3,4-dimethoxyphenyl)methyl]-4-N-pentylpyridine-2,4-dicarboxamide
CID 109088557
8-hydroxy-N-[(4-hydroxy-3-methoxyphenyl)methyl]quinoline-7-carboxamide
CID 18372541
2-anilino-N-[(3,4-dimethoxyphenyl)methyl]pyridine-4-carboxamide
CID 109173887
N-[(3,4-dimethoxyphenyl)methyl]-2-(2-methylpropylamino)pyridine-4-carboxamide
CID 109165743
N-[(3,4-dimethoxyphenyl)methyl]-2-[(4-fluorophenyl)methylamino]pyridine-4-carboxamide
CID 109170648
2-acetamido-N-[[4-(2,2-difluoropropoxy)-3-methoxyphenyl]methyl]pyridine-4-carboxamide
CID 162566379
4-hydroxy-3-methoxy-N-[2-oxo-2-[[4-(trifluoromethyl)phenyl]methylamino]ethyl]benzamide
CID 146422502
N-[(3,4-dimethoxyphenyl)methyl]-3-hydroxybenzamide
CID 43397926
N-[(3,4-dimethoxyphenyl)methyl]-2-(2-methylanilino)pyridine-4-carboxamide
CID 109173888

Frequently Asked Questions

What is the IUPAC name of 2-ethylsulfanyl-N-[(4-hydroxy-3-methoxyphenyl)methyl]pyridine-4-carboxamide?
The IUPAC name of 2-ethylsulfanyl-N-[(4-hydroxy-3-methoxyphenyl)methyl]pyridine-4-carboxamide (CID 51091782) is 2-ethylsulfanyl-N-[(4-hydroxy-3-methoxyphenyl)methyl]pyridine-4-carboxamide.
What is the SMILES notation for 2-ethylsulfanyl-N-[(4-hydroxy-3-methoxyphenyl)methyl]pyridine-4-carboxamide?
The canonical SMILES for 2-ethylsulfanyl-N-[(4-hydroxy-3-methoxyphenyl)methyl]pyridine-4-carboxamide is CCSc1cc(C(=O)NCc2ccc(O)c(OC)c2)ccn1.
What is the InChIKey of 2-ethylsulfanyl-N-[(4-hydroxy-3-methoxyphenyl)methyl]pyridine-4-carboxamide?
The InChIKey is RBPJBVXCQDASTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O3S/c1-3-22-15-9-12(6-7-17-15)16(20)18-10-11-4-5-13(19)14(8-11)21-2/h4-9,19H,3,10H2,1-2H3,(H,18,20).
What are the key properties of 2-ethylsulfanyl-N-[(4-hydroxy-3-methoxyphenyl)methyl]pyridine-4-carboxamide?
2-ethylsulfanyl-N-[(4-hydroxy-3-methoxyphenyl)methyl]pyridine-4-carboxamide has a molecular weight of 318.40 g/mol, XLogP of 2.84, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethylsulfanyl-N-[(4-hydroxy-3-methoxyphenyl)methyl]pyridine-4-carboxamide is sourced from PubChem (CID 51091782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).