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

C20H20N4O2 — CID 142791803

IUPAC2-(2-hydroxyphenyl)-3-pyridin-3-yl-2-(pyridin-4-ylmethylamino)propanamide
SMILESNC(=O)C(Cc1cccnc1)(NCc1ccncc1)c1ccccc1O
InChIInChI=1S/C20H20N4O2/c21-19(26)20(12-16-4-3-9-23-13-16,17-5-1-2-6-18(17)25)24-14-15-7-10-22-11-8-15/h1-11,13,24-25H,12,14H2,(H2,21,26)
InChIKeyANISNOOHWAPFSP-UHFFFAOYSA-N
MW348.41 g/mol
LogP1.90
Rot. Bonds7

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

2-(2-hydroxyphenyl)-3-pyridin-3-yl-2-(pyridin-4-ylmethylamino)propanamide (PubChem CID 142791803) has the molecular formula C20H20N4O2 and a molecular weight of 348.41 g/mol. Its IUPAC name is 2-(2-hydroxyphenyl)-3-pyridin-3-yl-2-(pyridin-4-ylmethylamino)propanamide.

Molecular Properties

Compound Name2-(2-hydroxyphenyl)-3-pyridin-3-yl-2-(pyridin-4-ylmethylamino)propanamide
PubChem CID142791803
Molecular FormulaC20H20N4O2
Molecular Weight348.41 g/mol
Exact Mass348.16
IUPAC Name2-(2-hydroxyphenyl)-3-pyridin-3-yl-2-(pyridin-4-ylmethylamino)propanamide
SMILESNC(=O)C(Cc1cccnc1)(NCc1ccncc1)c1ccccc1O
InChIInChI=1S/C20H20N4O2/c21-19(26)20(12-16-4-3-9-23-13-16,17-5-1-2-6-18(17)25)24-14-15-7-10-22-11-8-15/h1-11,13,24-25H,12,14H2,(H2,21,26)
InChIKeyANISNOOHWAPFSP-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

N-[4-[(1R,3S)-3-aminocyclohexyl]-3-pyridinyl]-6-(2-fluoro-5-hydroxyphenyl)pyridine-2-carboxamide
CID 46179100
(2S)-1-[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]-N-[(2S)-1-oxo-3-phenyl-1-(pyridin-3-ylamino)propan-2-yl]pyrrolidine-2-carboxamide
CID 44345804
H-Tyr-D-Lys(1)-3Pal-Tyr-Gly-(1)
CID 127041938
H-Tyr-D-Lys(1)-4Pal-Tyr-Gly-(1)
CID 127041939
N-[4-[(1R,3S)-3-aminocyclohexyl]-3-pyridinyl]-3-fluoro-6-(2-fluoro-5-hydroxyphenyl)pyridine-2-carboxamide
CID 46179297
N-((1r,4r)-4-(4-hydroxyphenyl)cyclohexyl)-3-(pyridin-3-yl)propanamide
CID 44433700
N-[2-(4-hydroxyphenyl)ethyl]-5-phenylpyridine-2-carboxamide
CID 155516061
N-[2-(2-fluorophenyl)ethyl]-5-(2-hydroxyphenyl)pyridine-2-carboxamide
CID 155516364
N-[2-(2-fluorophenyl)ethyl]-5-(4-hydroxyphenyl)pyridine-2-carboxamide
CID 155525051
(S)-3-cyclopropyl-N-((S)-2-(dimethylamino)-3-(4-hydroxyphenyl)propyl)-3-(pyridin-3-yl)propanamide
CID 165405147
1-[5-Cyano-4-(4-hydroxyphenyl)-2,6-dioxopiperidin-3-yl]pyridinium
CID 3143742
5-[1-(2-Hydroxy-5-methylbenzyl)piperidin-4-yl]-5-pyridin-2-ylimidazolidine-2,4-dione
CID 56720520

Frequently Asked Questions

What is the IUPAC name of 2-(2-hydroxyphenyl)-3-pyridin-3-yl-2-(pyridin-4-ylmethylamino)propanamide?
The IUPAC name of 2-(2-hydroxyphenyl)-3-pyridin-3-yl-2-(pyridin-4-ylmethylamino)propanamide (CID 142791803) is 2-(2-hydroxyphenyl)-3-pyridin-3-yl-2-(pyridin-4-ylmethylamino)propanamide.
What is the SMILES notation for 2-(2-hydroxyphenyl)-3-pyridin-3-yl-2-(pyridin-4-ylmethylamino)propanamide?
The canonical SMILES for 2-(2-hydroxyphenyl)-3-pyridin-3-yl-2-(pyridin-4-ylmethylamino)propanamide is NC(=O)C(Cc1cccnc1)(NCc1ccncc1)c1ccccc1O.
What is the InChIKey of 2-(2-hydroxyphenyl)-3-pyridin-3-yl-2-(pyridin-4-ylmethylamino)propanamide?
The InChIKey is ANISNOOHWAPFSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O2/c21-19(26)20(12-16-4-3-9-23-13-16,17-5-1-2-6-18(17)25)24-14-15-7-10-22-11-8-15/h1-11,13,24-25H,12,14H2,(H2,21,26).
What are the key properties of 2-(2-hydroxyphenyl)-3-pyridin-3-yl-2-(pyridin-4-ylmethylamino)propanamide?
2-(2-hydroxyphenyl)-3-pyridin-3-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-3-yl-2-(pyridin-4-ylmethylamino)propanamide is sourced from PubChem (CID 142791803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).