4-(3-aminopropylamino)-5-(3,5-dimethylphenyl)-N-(3-hydroxyphenyl)pyridine-3-carboxamide

C23H26N4O2 — CID 171344688

IUPAC4-(3-aminopropylamino)-5-(3,5-dimethylphenyl)-N-(3-hydroxyphenyl)pyridine-3-carboxamide
SMILESCc1cc(C)cc(-c2cncc(C(=O)Nc3cccc(O)c3)c2NCCCN)c1
InChIInChI=1S/C23H26N4O2/c1-15-9-16(2)11-17(10-15)20-13-25-14-21(22(20)26-8-4-7-24)23(29)27-18-5-3-6-19(28)12-18/h3,5-6,9-14,28H,4,7-8,24H2,1-2H3,(H,25,26)(H,27,29)
InChIKeyNUUWLGXOHGOZLE-UHFFFAOYSA-N
MW390.49 g/mol
LogP4.08
Rot. Bonds7

About 4-(3-aminopropylamino)-5-(3,5-dimethylphenyl)-N-(3-hydroxyphenyl)pyridine-3-carboxamide

4-(3-aminopropylamino)-5-(3,5-dimethylphenyl)-N-(3-hydroxyphenyl)pyridine-3-carboxamide (PubChem CID 171344688) has the molecular formula C23H26N4O2 and a molecular weight of 390.49 g/mol. Its IUPAC name is 4-(3-aminopropylamino)-5-(3,5-dimethylphenyl)-N-(3-hydroxyphenyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name4-(3-aminopropylamino)-5-(3,5-dimethylphenyl)-N-(3-hydroxyphenyl)pyridine-3-carboxamide
PubChem CID171344688
Molecular FormulaC23H26N4O2
Molecular Weight390.49 g/mol
Exact Mass390.21
IUPAC Name4-(3-aminopropylamino)-5-(3,5-dimethylphenyl)-N-(3-hydroxyphenyl)pyridine-3-carboxamide
SMILESCc1cc(C)cc(-c2cncc(C(=O)Nc3cccc(O)c3)c2NCCCN)c1
InChIInChI=1S/C23H26N4O2/c1-15-9-16(2)11-17(10-15)20-13-25-14-21(22(20)26-8-4-7-24)23(29)27-18-5-3-6-19(28)12-18/h3,5-6,9-14,28H,4,7-8,24H2,1-2H3,(H,25,26)(H,27,29)
InChIKeyNUUWLGXOHGOZLE-UHFFFAOYSA-N
XLogP4.08
TPSA100.27 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.49
LogP ≤ 54.08
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

GR-55562
CID 128018
2-((2-((3-Hydroxyphenyl)amino)pyrimidin-4-yl)amino)benzamide
CID 16058637
4-[(5-hydroxy-2-methylphenyl)amino]-N-(propan-2-yl)quinoline-6-carboxamide
CID 25023831
N,N-diethyl-4-((3-hydroxyphenyl)(1-(2-(pyridin-2-yl)ethyl)piperidin-4-yl)amino)benzamide
CID 45486018
5-[[2-Aminoethyl(methyl)amino]methyl]-6-(3,5-dimethylphenyl)-3-(3-hydroxyphenyl)pyrido[2,3-d]pyrimidin-4-one
CID 124167759
5-[[2-Aminoethyl(ethyl)amino]methyl]-6-(3,5-dimethylphenyl)-3-(3-hydroxyphenyl)pyrido[2,3-d]pyrimidin-4-one
CID 124168074
6-(3,5-dimethylphenyl)-3-(3-hydroxyphenyl)-5-[[methyl-[[(2S)-pyrrolidin-2-yl]methyl]amino]methyl]pyrido[2,3-d]pyrimidin-4-one
CID 124168075
6-(3,5-Dimethylphenyl)-3-(3-hydroxyphenyl)-5-[[methyl(piperidin-2-ylmethyl)amino]methyl]pyrido[2,3-d]pyrimidin-4-one
CID 124168105
6-(3,5-dimethylphenyl)-3-(3-fluoro-5-hydroxyphenyl)-5-[[methyl-[[(2S)-pyrrolidin-2-yl]methyl]amino]methyl]pyrido[2,3-d]pyrimidin-4-one
CID 140762295
6-(3,5-dimethylphenyl)-3-(3-hydroxyphenyl)-5-[[methyl-[[(2R)-piperidin-2-yl]methyl]amino]methyl]pyrido[2,3-d]pyrimidin-4-one
CID 140762341
5-[[(1-Aminocyclopentyl)methyl-methylamino]methyl]-6-(3,5-dimethylphenyl)-3-(3-hydroxyphenyl)pyrido[2,3-d]pyrimidin-4-one
CID 140762372
5-[[[(2S)-2-aminopropyl]-methylamino]methyl]-6-(3,5-dimethylphenyl)-3-(3-hydroxyphenyl)pyrido[2,3-d]pyrimidin-4-one
CID 140762376

Frequently Asked Questions

What is the IUPAC name of 4-(3-aminopropylamino)-5-(3,5-dimethylphenyl)-N-(3-hydroxyphenyl)pyridine-3-carboxamide?
The IUPAC name of 4-(3-aminopropylamino)-5-(3,5-dimethylphenyl)-N-(3-hydroxyphenyl)pyridine-3-carboxamide (CID 171344688) is 4-(3-aminopropylamino)-5-(3,5-dimethylphenyl)-N-(3-hydroxyphenyl)pyridine-3-carboxamide.
What is the SMILES notation for 4-(3-aminopropylamino)-5-(3,5-dimethylphenyl)-N-(3-hydroxyphenyl)pyridine-3-carboxamide?
The canonical SMILES for 4-(3-aminopropylamino)-5-(3,5-dimethylphenyl)-N-(3-hydroxyphenyl)pyridine-3-carboxamide is Cc1cc(C)cc(-c2cncc(C(=O)Nc3cccc(O)c3)c2NCCCN)c1.
What is the InChIKey of 4-(3-aminopropylamino)-5-(3,5-dimethylphenyl)-N-(3-hydroxyphenyl)pyridine-3-carboxamide?
The InChIKey is NUUWLGXOHGOZLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O2/c1-15-9-16(2)11-17(10-15)20-13-25-14-21(22(20)26-8-4-7-24)23(29)27-18-5-3-6-19(28)12-18/h3,5-6,9-14,28H,4,7-8,24H2,1-2H3,(H,25,26)(H,27,29).
What are the key properties of 4-(3-aminopropylamino)-5-(3,5-dimethylphenyl)-N-(3-hydroxyphenyl)pyridine-3-carboxamide?
4-(3-aminopropylamino)-5-(3,5-dimethylphenyl)-N-(3-hydroxyphenyl)pyridine-3-carboxamide has a molecular weight of 390.49 g/mol, XLogP of 4.08, 7 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-aminopropylamino)-5-(3,5-dimethylphenyl)-N-(3-hydroxyphenyl)pyridine-3-carboxamide is sourced from PubChem (CID 171344688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).