2-amino-N-[(4-hydroxy-2-methylphenyl)-thiophen-2-ylmethyl]pyridine-3-carboxamide

C18H17N3O2S — CID 91388168

IUPAC2-amino-N-[(4-hydroxy-2-methylphenyl)-thiophen-2-ylmethyl]pyridine-3-carboxamide
SMILESCc1cc(O)ccc1C(NC(=O)c1cccnc1N)c1cccs1
InChIInChI=1S/C18H17N3O2S/c1-11-10-12(22)6-7-13(11)16(15-5-3-9-24-15)21-18(23)14-4-2-8-20-17(14)19/h2-10,16,22H,1H3,(H2,19,20)(H,21,23)
InChIKeyCVHOTDSPEYKSCQ-UHFFFAOYSA-N
MW339.42 g/mol
LogP3.26
Rot. Bonds4

About 2-amino-N-[(4-hydroxy-2-methylphenyl)-thiophen-2-ylmethyl]pyridine-3-carboxamide

2-amino-N-[(4-hydroxy-2-methylphenyl)-thiophen-2-ylmethyl]pyridine-3-carboxamide (PubChem CID 91388168) has the molecular formula C18H17N3O2S and a molecular weight of 339.42 g/mol. Its IUPAC name is 2-amino-N-[(4-hydroxy-2-methylphenyl)-thiophen-2-ylmethyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name2-amino-N-[(4-hydroxy-2-methylphenyl)-thiophen-2-ylmethyl]pyridine-3-carboxamide
PubChem CID91388168
Molecular FormulaC18H17N3O2S
Molecular Weight339.42 g/mol
Exact Mass339.10
IUPAC Name2-amino-N-[(4-hydroxy-2-methylphenyl)-thiophen-2-ylmethyl]pyridine-3-carboxamide
SMILESCc1cc(O)ccc1C(NC(=O)c1cccnc1N)c1cccs1
InChIInChI=1S/C18H17N3O2S/c1-11-10-12(22)6-7-13(11)16(15-5-3-9-24-15)21-18(23)14-4-2-8-20-17(14)19/h2-10,16,22H,1H3,(H2,19,20)(H,21,23)
InChIKeyCVHOTDSPEYKSCQ-UHFFFAOYSA-N
XLogP3.26
TPSA88.24 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.42
LogP ≤ 53.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(3-hydroxyphenyl)-thiophen-2-ylmethyl]-2-(methylamino)pyridine-3-carboxamide
CID 90889181
2-amino-N-(1-pyridin-4-ylethyl)pyridine-3-carboxamide
CID 55069299
2-amino-N'-methylpyridine-3-carbohydrazide
CID 86158893
2-amino-N-[(3-hydroxyphenyl)-thiophen-2-ylmethyl]-6-(3-methylbut-2-enyl)pyridine-3-carboxamide
CID 91396947
2-amino-N-[1-(furan-2-yl)ethyl]pyridine-3-carboxamide
CID 62073819
2-amino-N-(4-methyl-1,3-thiazol-2-yl)pyridine-3-carboxamide
CID 62060816
2-amino-N-[(1R)-1-(4-fluorophenyl)ethyl]pyridine-3-carboxamide
CID 94338730
2-amino-N-[(3-hydroxyphenyl)-thiophen-2-ylmethyl]-6-(3-methoxypropyl)pyridine-3-carboxamide
CID 91131694
2-amino-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]pyridine-3-carboxamide
CID 106283558
2-amino-6-(benzylamino)-N-[(3-hydroxyphenyl)-thiophen-2-ylmethyl]pyridine-3-carboxamide
CID 90849314
2-amino-N-[(1R)-1-thiophen-2-ylethyl]benzamide
CID 81407916
4-hydroxy-2-methyl-N-pyrimidin-2-ylbenzamide
CID 103872165

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[(4-hydroxy-2-methylphenyl)-thiophen-2-ylmethyl]pyridine-3-carboxamide?
The IUPAC name of 2-amino-N-[(4-hydroxy-2-methylphenyl)-thiophen-2-ylmethyl]pyridine-3-carboxamide (CID 91388168) is 2-amino-N-[(4-hydroxy-2-methylphenyl)-thiophen-2-ylmethyl]pyridine-3-carboxamide.
What is the SMILES notation for 2-amino-N-[(4-hydroxy-2-methylphenyl)-thiophen-2-ylmethyl]pyridine-3-carboxamide?
The canonical SMILES for 2-amino-N-[(4-hydroxy-2-methylphenyl)-thiophen-2-ylmethyl]pyridine-3-carboxamide is Cc1cc(O)ccc1C(NC(=O)c1cccnc1N)c1cccs1.
What is the InChIKey of 2-amino-N-[(4-hydroxy-2-methylphenyl)-thiophen-2-ylmethyl]pyridine-3-carboxamide?
The InChIKey is CVHOTDSPEYKSCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O2S/c1-11-10-12(22)6-7-13(11)16(15-5-3-9-24-15)21-18(23)14-4-2-8-20-17(14)19/h2-10,16,22H,1H3,(H2,19,20)(H,21,23).
What are the key properties of 2-amino-N-[(4-hydroxy-2-methylphenyl)-thiophen-2-ylmethyl]pyridine-3-carboxamide?
2-amino-N-[(4-hydroxy-2-methylphenyl)-thiophen-2-ylmethyl]pyridine-3-carboxamide has a molecular weight of 339.42 g/mol, XLogP of 3.26, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[(4-hydroxy-2-methylphenyl)-thiophen-2-ylmethyl]pyridine-3-carboxamide is sourced from PubChem (CID 91388168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).