N-[[2-amino-6-[2-hydroxy-5-(4-methoxy-N-methylanilino)phenyl]-3-pyridinyl]methyl]-3-methoxypropanamide

C24H28N4O4 — CID 136501125

IUPACN-[[2-amino-6-[2-hydroxy-5-(4-methoxy-N-methylanilino)phenyl]-3-pyridinyl]methyl]-3-methoxypropanamide
SMILESCOCCC(=O)NCc1ccc(-c2cc(N(C)c3ccc(OC)cc3)ccc2O)nc1N
InChIInChI=1S/C24H28N4O4/c1-28(17-5-8-19(32-3)9-6-17)18-7-11-22(29)20(14-18)21-10-4-16(24(25)27-21)15-26-23(30)12-13-31-2/h4-11,14,29H,12-13,15H2,1-3H3,(H2,25,27)(H,26,30)
InChIKeyFQTBGWAEVWLQAP-UHFFFAOYSA-N
MW436.51 g/mol
LogP3.47
Rot. Bonds9

About N-[[2-amino-6-[2-hydroxy-5-(4-methoxy-N-methylanilino)phenyl]-3-pyridinyl]methyl]-3-methoxypropanamide

N-[[2-amino-6-[2-hydroxy-5-(4-methoxy-N-methylanilino)phenyl]-3-pyridinyl]methyl]-3-methoxypropanamide (PubChem CID 136501125) has the molecular formula C24H28N4O4 and a molecular weight of 436.51 g/mol. Its IUPAC name is N-[[2-amino-6-[2-hydroxy-5-(4-methoxy-N-methylanilino)phenyl]-3-pyridinyl]methyl]-3-methoxypropanamide.

Molecular Properties

Compound NameN-[[2-amino-6-[2-hydroxy-5-(4-methoxy-N-methylanilino)phenyl]-3-pyridinyl]methyl]-3-methoxypropanamide
PubChem CID136501125
Molecular FormulaC24H28N4O4
Molecular Weight436.51 g/mol
Exact Mass436.21
IUPAC NameN-[[2-amino-6-[2-hydroxy-5-(4-methoxy-N-methylanilino)phenyl]-3-pyridinyl]methyl]-3-methoxypropanamide
SMILESCOCCC(=O)NCc1ccc(-c2cc(N(C)c3ccc(OC)cc3)ccc2O)nc1N
InChIInChI=1S/C24H28N4O4/c1-28(17-5-8-19(32-3)9-6-17)18-7-11-22(29)20(14-18)21-10-4-16(24(25)27-21)15-26-23(30)12-13-31-2/h4-11,14,29H,12-13,15H2,1-3H3,(H2,25,27)(H,26,30)
InChIKeyFQTBGWAEVWLQAP-UHFFFAOYSA-N
XLogP3.47
TPSA109.94 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.51
LogP ≤ 53.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze N-[[2-amino-6-[2-hydroxy-5-(4-methoxy-N-methylanilino)phenyl]-3-pyridinyl]methyl]-3-methoxypropanamide with MolForge

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Related Compounds

N-[[2-amino-6-[5-(4-chloro-N-methylanilino)-2-hydroxyphenyl]-3-pyridinyl]methyl]-2-cyanoacetamide
CID 135491763
N-[[2-amino-6-[5-(2,4-difluoro-N-methylanilino)-2-hydroxyphenyl]-3-pyridinyl]methyl]-2-(4-methylpiperazin-1-yl)acetamide
CID 154457851
4-[(2-hydroxy-4-methoxyphenyl)methylamino]-4-oxobutanoic acid
CID 20993607
2-(2,5-dihydroxyphenyl)-N-[(4-methoxyphenyl)methyl]acetamide
CID 71715351
2-amino-6-[5-(2,4-difluoro-N-methylanilino)-2-hydroxyphenyl]-N-(3-hydroxy-2,2-dimethylpropyl)pyridine-3-carboxamide
CID 142681694
(2S)-N'-[(2-hydroxy-4-methoxyphenyl)methyl]-2-methylbutanediamide
CID 173193675
3-methoxy-N-[(2,3,4-trifluorophenyl)methyl]propanamide
CID 110480436
7-(2-hydroxy-5-methoxyphenyl)-1-(2-methoxyethyl)pyrido[2,3-d]pyrimidine-2,4-dione
CID 154925291
3-(4-methoxyphenoxy)-N-(pyridin-4-ylmethyl)propanamide
CID 110678375
N-[[2-(hydroxymethyl)phenyl]methyl]-3-methoxypropanamide
CID 110924169
N-benzyl-3-(4-methoxyphenoxy)propanamide
CID 974838
2-(2-hydroxyphenyl)-N-[(4-methoxyphenyl)methyl]acetamide
CID 2544461

Frequently Asked Questions

What is the IUPAC name of N-[[2-amino-6-[2-hydroxy-5-(4-methoxy-N-methylanilino)phenyl]-3-pyridinyl]methyl]-3-methoxypropanamide?
The IUPAC name of N-[[2-amino-6-[2-hydroxy-5-(4-methoxy-N-methylanilino)phenyl]-3-pyridinyl]methyl]-3-methoxypropanamide (CID 136501125) is N-[[2-amino-6-[2-hydroxy-5-(4-methoxy-N-methylanilino)phenyl]-3-pyridinyl]methyl]-3-methoxypropanamide.
What is the SMILES notation for N-[[2-amino-6-[2-hydroxy-5-(4-methoxy-N-methylanilino)phenyl]-3-pyridinyl]methyl]-3-methoxypropanamide?
The canonical SMILES for N-[[2-amino-6-[2-hydroxy-5-(4-methoxy-N-methylanilino)phenyl]-3-pyridinyl]methyl]-3-methoxypropanamide is COCCC(=O)NCc1ccc(-c2cc(N(C)c3ccc(OC)cc3)ccc2O)nc1N.
What is the InChIKey of N-[[2-amino-6-[2-hydroxy-5-(4-methoxy-N-methylanilino)phenyl]-3-pyridinyl]methyl]-3-methoxypropanamide?
The InChIKey is FQTBGWAEVWLQAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N4O4/c1-28(17-5-8-19(32-3)9-6-17)18-7-11-22(29)20(14-18)21-10-4-16(24(25)27-21)15-26-23(30)12-13-31-2/h4-11,14,29H,12-13,15H2,1-3H3,(H2,25,27)(H,26,30).
What are the key properties of N-[[2-amino-6-[2-hydroxy-5-(4-methoxy-N-methylanilino)phenyl]-3-pyridinyl]methyl]-3-methoxypropanamide?
N-[[2-amino-6-[2-hydroxy-5-(4-methoxy-N-methylanilino)phenyl]-3-pyridinyl]methyl]-3-methoxypropanamide has a molecular weight of 436.51 g/mol, XLogP of 3.47, 9 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-amino-6-[2-hydroxy-5-(4-methoxy-N-methylanilino)phenyl]-3-pyridinyl]methyl]-3-methoxypropanamide is sourced from PubChem (CID 136501125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).