2-[(3-amino-4-hydroxyphenyl)methylamino]-N-(4-propan-2-ylphenyl)pyridine-3-carboxamide

C22H24N4O2 — CID 10045076

IUPAC2-[(3-amino-4-hydroxyphenyl)methylamino]-N-(4-propan-2-ylphenyl)pyridine-3-carboxamide
SMILESCC(C)c1ccc(NC(=O)c2cccnc2NCc2ccc(O)c(N)c2)cc1
InChIInChI=1S/C22H24N4O2/c1-14(2)16-6-8-17(9-7-16)26-22(28)18-4-3-11-24-21(18)25-13-15-5-10-20(27)19(23)12-15/h3-12,14,27H,13,23H2,1-2H3,(H,24,25)(H,26,28)
InChIKeyFFLAVDPVOUGPQK-UHFFFAOYSA-N
MW376.46 g/mol
LogP4.36
Rot. Bonds6

About 2-[(3-amino-4-hydroxyphenyl)methylamino]-N-(4-propan-2-ylphenyl)pyridine-3-carboxamide

2-[(3-amino-4-hydroxyphenyl)methylamino]-N-(4-propan-2-ylphenyl)pyridine-3-carboxamide (PubChem CID 10045076) has the molecular formula C22H24N4O2 and a molecular weight of 376.46 g/mol. Its IUPAC name is 2-[(3-amino-4-hydroxyphenyl)methylamino]-N-(4-propan-2-ylphenyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name2-[(3-amino-4-hydroxyphenyl)methylamino]-N-(4-propan-2-ylphenyl)pyridine-3-carboxamide
PubChem CID10045076
Molecular FormulaC22H24N4O2
Molecular Weight376.46 g/mol
Exact Mass376.19
IUPAC Name2-[(3-amino-4-hydroxyphenyl)methylamino]-N-(4-propan-2-ylphenyl)pyridine-3-carboxamide
SMILESCC(C)c1ccc(NC(=O)c2cccnc2NCc2ccc(O)c(N)c2)cc1
InChIInChI=1S/C22H24N4O2/c1-14(2)16-6-8-17(9-7-16)26-22(28)18-4-3-11-24-21(18)25-13-15-5-10-20(27)19(23)12-15/h3-12,14,27H,13,23H2,1-2H3,(H,24,25)(H,26,28)
InChIKeyFFLAVDPVOUGPQK-UHFFFAOYSA-N
XLogP4.36
TPSA100.27 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.46
LogP ≤ 54.36
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-[(4-hydroxy-3-nitrophenyl)methylamino]-N-(4-propan-2-ylphenyl)pyridine-3-carboxamide
CID 10024296
N-(4-propan-2-ylphenyl)-4-(pyridin-4-ylmethylamino)pyrimidine-5-carboxamide
CID 22249256
N-(4-bromophenyl)-2-(4-propan-2-ylanilino)pyridine-3-carboxamide
CID 23632633
2-(3-bromoanilino)-N-(4-propan-2-ylphenyl)pyridine-3-carboxamide
CID 23632949
3-hydroxy-2-methyl-N-(4-propan-2-ylphenyl)benzamide
CID 82787554
1-[2-amino-5-[(4-propan-2-ylphenyl)methylamino]phenyl]ethanone
CID 104612656
N-(4-methylsulfonylphenyl)-2-(pyridin-4-ylmethylamino)pyridine-3-carboxamide
CID 22249375
N-[4-(fluoromethyl)phenyl]-2-(pyrimidin-4-ylmethylamino)pyridine-3-carboxamide
CID 70907587
N-[4-(4-hydroxybutyl)phenyl]-2-(pyridin-4-ylmethylamino)pyridine-3-carboxamide
CID 10270887
2-[(2-amino-4-pyridinyl)methylamino]-N-[4-[2-(5-methyl-1,3,4-oxadiazol-2-yl)propan-2-yl]phenyl]pyridine-3-carboxamide
CID 22498883
N-(4-hydroxyphenyl)-2-(propan-2-ylamino)pyridine-3-carboxamide
CID 84574934
N-(4-chlorophenyl)-2-(methylamino)pyridine-3-carboxamide
CID 62167597

Frequently Asked Questions

What is the IUPAC name of 2-[(3-amino-4-hydroxyphenyl)methylamino]-N-(4-propan-2-ylphenyl)pyridine-3-carboxamide?
The IUPAC name of 2-[(3-amino-4-hydroxyphenyl)methylamino]-N-(4-propan-2-ylphenyl)pyridine-3-carboxamide (CID 10045076) is 2-[(3-amino-4-hydroxyphenyl)methylamino]-N-(4-propan-2-ylphenyl)pyridine-3-carboxamide.
What is the SMILES notation for 2-[(3-amino-4-hydroxyphenyl)methylamino]-N-(4-propan-2-ylphenyl)pyridine-3-carboxamide?
The canonical SMILES for 2-[(3-amino-4-hydroxyphenyl)methylamino]-N-(4-propan-2-ylphenyl)pyridine-3-carboxamide is CC(C)c1ccc(NC(=O)c2cccnc2NCc2ccc(O)c(N)c2)cc1.
What is the InChIKey of 2-[(3-amino-4-hydroxyphenyl)methylamino]-N-(4-propan-2-ylphenyl)pyridine-3-carboxamide?
The InChIKey is FFLAVDPVOUGPQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O2/c1-14(2)16-6-8-17(9-7-16)26-22(28)18-4-3-11-24-21(18)25-13-15-5-10-20(27)19(23)12-15/h3-12,14,27H,13,23H2,1-2H3,(H,24,25)(H,26,28).
What are the key properties of 2-[(3-amino-4-hydroxyphenyl)methylamino]-N-(4-propan-2-ylphenyl)pyridine-3-carboxamide?
2-[(3-amino-4-hydroxyphenyl)methylamino]-N-(4-propan-2-ylphenyl)pyridine-3-carboxamide has a molecular weight of 376.46 g/mol, XLogP of 4.36, 6 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-amino-4-hydroxyphenyl)methylamino]-N-(4-propan-2-ylphenyl)pyridine-3-carboxamide is sourced from PubChem (CID 10045076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).