N-[(3-hydroxyphenyl)-thiophen-2-ylmethyl]-2-(methylamino)pyridine-3-carboxamide

C18H17N3O2S — CID 90889181

IUPACN-[(3-hydroxyphenyl)-thiophen-2-ylmethyl]-2-(methylamino)pyridine-3-carboxamide
SMILESCNc1ncccc1C(=O)NC(c1cccc(O)c1)c1cccs1
InChIInChI=1S/C18H17N3O2S/c1-19-17-14(7-3-9-20-17)18(23)21-16(15-8-4-10-24-15)12-5-2-6-13(22)11-12/h2-11,16,22H,1H3,(H,19,20)(H,21,23)
InChIKeyFMABVQMCFKNRJD-UHFFFAOYSA-N
MW339.42 g/mol
LogP3.41
Rot. Bonds5

About N-[(3-hydroxyphenyl)-thiophen-2-ylmethyl]-2-(methylamino)pyridine-3-carboxamide

N-[(3-hydroxyphenyl)-thiophen-2-ylmethyl]-2-(methylamino)pyridine-3-carboxamide (PubChem CID 90889181) has the molecular formula C18H17N3O2S and a molecular weight of 339.42 g/mol. Its IUPAC name is N-[(3-hydroxyphenyl)-thiophen-2-ylmethyl]-2-(methylamino)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(3-hydroxyphenyl)-thiophen-2-ylmethyl]-2-(methylamino)pyridine-3-carboxamide
PubChem CID90889181
Molecular FormulaC18H17N3O2S
Molecular Weight339.42 g/mol
Exact Mass339.10
IUPAC NameN-[(3-hydroxyphenyl)-thiophen-2-ylmethyl]-2-(methylamino)pyridine-3-carboxamide
SMILESCNc1ncccc1C(=O)NC(c1cccc(O)c1)c1cccs1
InChIInChI=1S/C18H17N3O2S/c1-19-17-14(7-3-9-20-17)18(23)21-16(15-8-4-10-24-15)12-5-2-6-13(22)11-12/h2-11,16,22H,1H3,(H,19,20)(H,21,23)
InChIKeyFMABVQMCFKNRJD-UHFFFAOYSA-N
XLogP3.41
TPSA74.25 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.42
LogP ≤ 53.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-amino-6-(benzylamino)-N-[(3-hydroxyphenyl)-thiophen-2-ylmethyl]pyridine-3-carboxamide
CID 90849314
2-amino-N-[(3-hydroxyphenyl)-thiophen-2-ylmethyl]-6-(3-methylbut-2-enyl)pyridine-3-carboxamide
CID 91396947
2-amino-N-[(3-hydroxyphenyl)-thiophen-2-ylmethyl]-6-(3-methoxypropyl)pyridine-3-carboxamide
CID 91131694
2-amino-N-[(4-hydroxy-2-methylphenyl)-thiophen-2-ylmethyl]pyridine-3-carboxamide
CID 91388168
2-(methylamino)-N-(3-methylbutan-2-yl)pyridine-3-carboxamide
CID 62167336
2-(ethylamino)-N-(1-thiophen-2-ylpropyl)pyridine-3-carboxamide
CID 62179628
N-[1-(5-chlorothiophen-2-yl)ethyl]-2-(methylamino)pyridine-3-carboxamide
CID 62181041
N-(1-amino-3-methyl-1-oxobutan-2-yl)-2-(methylamino)pyridine-3-carboxamide
CID 106347134
N-(1-ethoxypropan-2-yl)-2-(methylamino)pyridine-3-carboxamide
CID 62174214
(2R)-2-[[2-(methylamino)pyridine-3-carbonyl]amino]-4-methylsulfanylbutanoic acid
CID 126446245
3-(dithiophen-2-ylmethyl)phenol
CID 46201100
[2-oxo-2-[[(R)-phenyl(thiophen-2-yl)methyl]amino]ethyl] 2-chloropyridine-3-carboxylate
CID 9013889

Frequently Asked Questions

What is the IUPAC name of N-[(3-hydroxyphenyl)-thiophen-2-ylmethyl]-2-(methylamino)pyridine-3-carboxamide?
The IUPAC name of N-[(3-hydroxyphenyl)-thiophen-2-ylmethyl]-2-(methylamino)pyridine-3-carboxamide (CID 90889181) is N-[(3-hydroxyphenyl)-thiophen-2-ylmethyl]-2-(methylamino)pyridine-3-carboxamide.
What is the SMILES notation for N-[(3-hydroxyphenyl)-thiophen-2-ylmethyl]-2-(methylamino)pyridine-3-carboxamide?
The canonical SMILES for N-[(3-hydroxyphenyl)-thiophen-2-ylmethyl]-2-(methylamino)pyridine-3-carboxamide is CNc1ncccc1C(=O)NC(c1cccc(O)c1)c1cccs1.
What is the InChIKey of N-[(3-hydroxyphenyl)-thiophen-2-ylmethyl]-2-(methylamino)pyridine-3-carboxamide?
The InChIKey is FMABVQMCFKNRJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O2S/c1-19-17-14(7-3-9-20-17)18(23)21-16(15-8-4-10-24-15)12-5-2-6-13(22)11-12/h2-11,16,22H,1H3,(H,19,20)(H,21,23).
What are the key properties of N-[(3-hydroxyphenyl)-thiophen-2-ylmethyl]-2-(methylamino)pyridine-3-carboxamide?
N-[(3-hydroxyphenyl)-thiophen-2-ylmethyl]-2-(methylamino)pyridine-3-carboxamide has a molecular weight of 339.42 g/mol, XLogP of 3.41, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-hydroxyphenyl)-thiophen-2-ylmethyl]-2-(methylamino)pyridine-3-carboxamide is sourced from PubChem (CID 90889181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).