2-(2-hydroxyphenyl)-3-pyridin-4-yl-2-(pyridin-4-ylmethylamino)propanamide

C20H20N4O2 — CID 142792407

IUPAC2-(2-hydroxyphenyl)-3-pyridin-4-yl-2-(pyridin-4-ylmethylamino)propanamide
SMILESNC(=O)C(Cc1ccncc1)(NCc1ccncc1)c1ccccc1O
InChIInChI=1S/C20H20N4O2/c21-19(26)20(13-15-5-9-22-10-6-15,17-3-1-2-4-18(17)25)24-14-16-7-11-23-12-8-16/h1-12,24-25H,13-14H2,(H2,21,26)
InChIKeyQZJKJOWXBKCPBH-UHFFFAOYSA-N
MW348.41 g/mol
LogP1.90
Rot. Bonds7

About 2-(2-hydroxyphenyl)-3-pyridin-4-yl-2-(pyridin-4-ylmethylamino)propanamide

2-(2-hydroxyphenyl)-3-pyridin-4-yl-2-(pyridin-4-ylmethylamino)propanamide (PubChem CID 142792407) has the molecular formula C20H20N4O2 and a molecular weight of 348.41 g/mol. Its IUPAC name is 2-(2-hydroxyphenyl)-3-pyridin-4-yl-2-(pyridin-4-ylmethylamino)propanamide.

Molecular Properties

Compound Name2-(2-hydroxyphenyl)-3-pyridin-4-yl-2-(pyridin-4-ylmethylamino)propanamide
PubChem CID142792407
Molecular FormulaC20H20N4O2
Molecular Weight348.41 g/mol
Exact Mass348.16
IUPAC Name2-(2-hydroxyphenyl)-3-pyridin-4-yl-2-(pyridin-4-ylmethylamino)propanamide
SMILESNC(=O)C(Cc1ccncc1)(NCc1ccncc1)c1ccccc1O
InChIInChI=1S/C20H20N4O2/c21-19(26)20(13-15-5-9-22-10-6-15,17-3-1-2-4-18(17)25)24-14-16-7-11-23-12-8-16/h1-12,24-25H,13-14H2,(H2,21,26)
InChIKeyQZJKJOWXBKCPBH-UHFFFAOYSA-N
XLogP1.90
TPSA101.13 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.41
LogP ≤ 51.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Related Compounds

2-(2-hydroxyphenyl)-3-pyridin-3-yl-2-(pyridin-4-ylmethylamino)propanamide
CID 142791803
2-(3-methylphenyl)-3-pyridin-4-yl-2-(pyridin-4-ylmethylamino)propanamide
CID 142792098
2-(2-ethoxyphenyl)-3-pyridin-4-yl-2-(pyridin-3-ylmethylamino)propanamide
CID 142792386
2-(2,3-dichlorophenyl)-3-pyridin-4-yl-2-(pyridin-3-ylmethylamino)propanamide
CID 142792015
3-pyridin-3-yl-2-pyridin-4-yl-2-(pyridin-4-ylmethylamino)propanamide
CID 142792044
2-pyridin-2-yl-3-pyridin-4-yl-2-(pyridin-3-ylmethylamino)propanamide
CID 142792490
2-(2,6-dichlorophenyl)-3-pyridin-4-yl-2-(pyridin-3-ylmethylamino)propanamide
CID 142792620
2-(benzylamino)-2-pyridin-4-ylpropanamide
CID 54891502
2-(ethylamino)-2,3-diphenylpropanamide
CID 60787050
2-naphthalen-2-yl-3-pyridin-3-yl-2-(pyridin-3-ylmethylamino)propanamide
CID 142792047
2-(2-piperidin-4-ylethylamino)-3-pyridin-4-yl-2-[3-(trifluoromethyl)phenyl]propanamide
CID 142791863
methyl 2-(benzylamino)-2,3-diphenylpropanoate
CID 113225267

Frequently Asked Questions

What is the IUPAC name of 2-(2-hydroxyphenyl)-3-pyridin-4-yl-2-(pyridin-4-ylmethylamino)propanamide?
The IUPAC name of 2-(2-hydroxyphenyl)-3-pyridin-4-yl-2-(pyridin-4-ylmethylamino)propanamide (CID 142792407) is 2-(2-hydroxyphenyl)-3-pyridin-4-yl-2-(pyridin-4-ylmethylamino)propanamide.
What is the SMILES notation for 2-(2-hydroxyphenyl)-3-pyridin-4-yl-2-(pyridin-4-ylmethylamino)propanamide?
The canonical SMILES for 2-(2-hydroxyphenyl)-3-pyridin-4-yl-2-(pyridin-4-ylmethylamino)propanamide is NC(=O)C(Cc1ccncc1)(NCc1ccncc1)c1ccccc1O.
What is the InChIKey of 2-(2-hydroxyphenyl)-3-pyridin-4-yl-2-(pyridin-4-ylmethylamino)propanamide?
The InChIKey is QZJKJOWXBKCPBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O2/c21-19(26)20(13-15-5-9-22-10-6-15,17-3-1-2-4-18(17)25)24-14-16-7-11-23-12-8-16/h1-12,24-25H,13-14H2,(H2,21,26).
What are the key properties of 2-(2-hydroxyphenyl)-3-pyridin-4-yl-2-(pyridin-4-ylmethylamino)propanamide?
2-(2-hydroxyphenyl)-3-pyridin-4-yl-2-(pyridin-4-ylmethylamino)propanamide has a molecular weight of 348.41 g/mol, XLogP of 1.90, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-hydroxyphenyl)-3-pyridin-4-yl-2-(pyridin-4-ylmethylamino)propanamide is sourced from PubChem (CID 142792407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).