N-(5H-chromeno[3,4-c]pyridin-8-yl)-3-(4-hydroxyphenyl)propanamide

C21H18N2O3 — CID 121363917

IUPACN-(5H-chromeno[3,4-c]pyridin-8-yl)-3-(4-hydroxyphenyl)propanamide
SMILESO=C(CCc1ccc(O)cc1)Nc1ccc2c(c1)OCc1cnccc1-2
InChIInChI=1S/C21H18N2O3/c24-17-5-1-14(2-6-17)3-8-21(25)23-16-4-7-19-18-9-10-22-12-15(18)13-26-20(19)11-16/h1-2,4-7,9-12,24H,3,8,13H2,(H,23,25)
InChIKeyKTLHOYWEWWECMX-UHFFFAOYSA-N
MW346.39 g/mol
LogP3.92
Rot. Bonds4

About N-(5H-chromeno[3,4-c]pyridin-8-yl)-3-(4-hydroxyphenyl)propanamide

N-(5H-chromeno[3,4-c]pyridin-8-yl)-3-(4-hydroxyphenyl)propanamide (PubChem CID 121363917) has the molecular formula C21H18N2O3 and a molecular weight of 346.39 g/mol. Its IUPAC name is N-(5H-chromeno[3,4-c]pyridin-8-yl)-3-(4-hydroxyphenyl)propanamide.

Molecular Properties

Compound NameN-(5H-chromeno[3,4-c]pyridin-8-yl)-3-(4-hydroxyphenyl)propanamide
PubChem CID121363917
Molecular FormulaC21H18N2O3
Molecular Weight346.39 g/mol
Exact Mass346.13
IUPAC NameN-(5H-chromeno[3,4-c]pyridin-8-yl)-3-(4-hydroxyphenyl)propanamide
SMILESO=C(CCc1ccc(O)cc1)Nc1ccc2c(c1)OCc1cnccc1-2
InChIInChI=1S/C21H18N2O3/c24-17-5-1-14(2-6-17)3-8-21(25)23-16-4-7-19-18-9-10-22-12-15(18)13-26-20(19)11-16/h1-2,4-7,9-12,24H,3,8,13H2,(H,23,25)
InChIKeyKTLHOYWEWWECMX-UHFFFAOYSA-N
XLogP3.92
TPSA71.45 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.39
LogP ≤ 53.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(5H-chromeno[3,4-c]pyridin-8-yl)-3-(4-hydroxyphenyl)propanamide?
The IUPAC name of N-(5H-chromeno[3,4-c]pyridin-8-yl)-3-(4-hydroxyphenyl)propanamide (CID 121363917) is N-(5H-chromeno[3,4-c]pyridin-8-yl)-3-(4-hydroxyphenyl)propanamide.
What is the SMILES notation for N-(5H-chromeno[3,4-c]pyridin-8-yl)-3-(4-hydroxyphenyl)propanamide?
The canonical SMILES for N-(5H-chromeno[3,4-c]pyridin-8-yl)-3-(4-hydroxyphenyl)propanamide is O=C(CCc1ccc(O)cc1)Nc1ccc2c(c1)OCc1cnccc1-2.
What is the InChIKey of N-(5H-chromeno[3,4-c]pyridin-8-yl)-3-(4-hydroxyphenyl)propanamide?
The InChIKey is KTLHOYWEWWECMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N2O3/c24-17-5-1-14(2-6-17)3-8-21(25)23-16-4-7-19-18-9-10-22-12-15(18)13-26-20(19)11-16/h1-2,4-7,9-12,24H,3,8,13H2,(H,23,25).
What are the key properties of N-(5H-chromeno[3,4-c]pyridin-8-yl)-3-(4-hydroxyphenyl)propanamide?
N-(5H-chromeno[3,4-c]pyridin-8-yl)-3-(4-hydroxyphenyl)propanamide has a molecular weight of 346.39 g/mol, XLogP of 3.92, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5H-chromeno[3,4-c]pyridin-8-yl)-3-(4-hydroxyphenyl)propanamide is sourced from PubChem (CID 121363917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).