2-amino-6-(benzylamino)-N-[(3-hydroxyphenyl)-thiophen-2-ylmethyl]pyridine-3-carboxamide

C24H22N4O2S — CID 90849314

IUPAC2-amino-6-(benzylamino)-N-[(3-hydroxyphenyl)-thiophen-2-ylmethyl]pyridine-3-carboxamide
SMILESNc1nc(NCc2ccccc2)ccc1C(=O)NC(c1cccc(O)c1)c1cccs1
InChIInChI=1S/C24H22N4O2S/c25-23-19(11-12-21(27-23)26-15-16-6-2-1-3-7-16)24(30)28-22(20-10-5-13-31-20)17-8-4-9-18(29)14-17/h1-14,22,29H,15H2,(H,28,30)(H3,25,26,27)
InChIKeyVMJSMVVBSXDEHU-UHFFFAOYSA-N
MW430.53 g/mol
LogP4.56
Rot. Bonds7

About 2-amino-6-(benzylamino)-N-[(3-hydroxyphenyl)-thiophen-2-ylmethyl]pyridine-3-carboxamide

2-amino-6-(benzylamino)-N-[(3-hydroxyphenyl)-thiophen-2-ylmethyl]pyridine-3-carboxamide (PubChem CID 90849314) has the molecular formula C24H22N4O2S and a molecular weight of 430.53 g/mol. Its IUPAC name is 2-amino-6-(benzylamino)-N-[(3-hydroxyphenyl)-thiophen-2-ylmethyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name2-amino-6-(benzylamino)-N-[(3-hydroxyphenyl)-thiophen-2-ylmethyl]pyridine-3-carboxamide
PubChem CID90849314
Molecular FormulaC24H22N4O2S
Molecular Weight430.53 g/mol
Exact Mass430.15
IUPAC Name2-amino-6-(benzylamino)-N-[(3-hydroxyphenyl)-thiophen-2-ylmethyl]pyridine-3-carboxamide
SMILESNc1nc(NCc2ccccc2)ccc1C(=O)NC(c1cccc(O)c1)c1cccs1
InChIInChI=1S/C24H22N4O2S/c25-23-19(11-12-21(27-23)26-15-16-6-2-1-3-7-16)24(30)28-22(20-10-5-13-31-20)17-8-4-9-18(29)14-17/h1-14,22,29H,15H2,(H,28,30)(H3,25,26,27)
InChIKeyVMJSMVVBSXDEHU-UHFFFAOYSA-N
XLogP4.56
TPSA100.27 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.53
LogP ≤ 54.56
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Related Compounds

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
N-[(3-hydroxyphenyl)-thiophen-2-ylmethyl]-2-(methylamino)pyridine-3-carboxamide
CID 90889181
2-(4,6-diaminopyrimidin-2-yl)sulfanyl-N-[(S)-phenyl(thiophen-2-yl)methyl]acetamide
CID 8806674
4-N-benzyl-6-thiophen-2-ylpyrimidine-2,4-diamine
CID 117079807
2-amino-N-[(4-hydroxy-2-methylphenyl)-thiophen-2-ylmethyl]pyridine-3-carboxamide
CID 91388168
4-chloro-N-[(R)-phenyl(thiophen-2-yl)methyl]benzamide
CID 8820635
3,5-difluoro-N-[(S)-phenyl(thiophen-2-yl)methyl]benzamide
CID 8854012
[2-oxo-2-[[(R)-phenyl(thiophen-2-yl)methyl]amino]ethyl] 4-chloro-2-hydroxybenzoate
CID 9342569
3-amino-2,2-dimethyl-N-[phenyl(thiophen-2-yl)methyl]propanamide
CID 115426261
2-benzylsulfanyl-N-[(S)-phenyl(thiophen-2-yl)methyl]acetamide
CID 9290006
N-[(S)-phenyl(thiophen-2-yl)methyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide
CID 92574304

Frequently Asked Questions

What is the IUPAC name of 2-amino-6-(benzylamino)-N-[(3-hydroxyphenyl)-thiophen-2-ylmethyl]pyridine-3-carboxamide?
The IUPAC name of 2-amino-6-(benzylamino)-N-[(3-hydroxyphenyl)-thiophen-2-ylmethyl]pyridine-3-carboxamide (CID 90849314) is 2-amino-6-(benzylamino)-N-[(3-hydroxyphenyl)-thiophen-2-ylmethyl]pyridine-3-carboxamide.
What is the SMILES notation for 2-amino-6-(benzylamino)-N-[(3-hydroxyphenyl)-thiophen-2-ylmethyl]pyridine-3-carboxamide?
The canonical SMILES for 2-amino-6-(benzylamino)-N-[(3-hydroxyphenyl)-thiophen-2-ylmethyl]pyridine-3-carboxamide is Nc1nc(NCc2ccccc2)ccc1C(=O)NC(c1cccc(O)c1)c1cccs1.
What is the InChIKey of 2-amino-6-(benzylamino)-N-[(3-hydroxyphenyl)-thiophen-2-ylmethyl]pyridine-3-carboxamide?
The InChIKey is VMJSMVVBSXDEHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N4O2S/c25-23-19(11-12-21(27-23)26-15-16-6-2-1-3-7-16)24(30)28-22(20-10-5-13-31-20)17-8-4-9-18(29)14-17/h1-14,22,29H,15H2,(H,28,30)(H3,25,26,27).
What are the key properties of 2-amino-6-(benzylamino)-N-[(3-hydroxyphenyl)-thiophen-2-ylmethyl]pyridine-3-carboxamide?
2-amino-6-(benzylamino)-N-[(3-hydroxyphenyl)-thiophen-2-ylmethyl]pyridine-3-carboxamide has a molecular weight of 430.53 g/mol, XLogP of 4.56, 7 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-(benzylamino)-N-[(3-hydroxyphenyl)-thiophen-2-ylmethyl]pyridine-3-carboxamide is sourced from PubChem (CID 90849314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).