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

C21H18N2O3 — CID 90466526

IUPACN-(5H-chromeno[3,4-c]pyridin-8-yl)-3-phenoxypropanamide
SMILESO=C(CCOc1ccccc1)Nc1ccc2c(c1)OCc1cnccc1-2
InChIInChI=1S/C21H18N2O3/c24-21(9-11-25-17-4-2-1-3-5-17)23-16-6-7-19-18-8-10-22-13-15(18)14-26-20(19)12-16/h1-8,10,12-13H,9,11,14H2,(H,23,24)
InChIKeyGPTRVGSCAPFUGT-UHFFFAOYSA-N
MW346.39 g/mol
LogP4.05
Rot. Bonds5

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

N-(5H-chromeno[3,4-c]pyridin-8-yl)-3-phenoxypropanamide (PubChem CID 90466526) 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-phenoxypropanamide.

Molecular Properties

Compound NameN-(5H-chromeno[3,4-c]pyridin-8-yl)-3-phenoxypropanamide
PubChem CID90466526
Molecular FormulaC21H18N2O3
Molecular Weight346.39 g/mol
Exact Mass346.13
IUPAC NameN-(5H-chromeno[3,4-c]pyridin-8-yl)-3-phenoxypropanamide
SMILESO=C(CCOc1ccccc1)Nc1ccc2c(c1)OCc1cnccc1-2
InChIInChI=1S/C21H18N2O3/c24-21(9-11-25-17-4-2-1-3-5-17)23-16-6-7-19-18-8-10-22-13-15(18)14-26-20(19)12-16/h1-8,10,12-13H,9,11,14H2,(H,23,24)
InChIKeyGPTRVGSCAPFUGT-UHFFFAOYSA-N
XLogP4.05
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.39
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(5H-chromeno[3,4-c]pyridin-8-yl)-2-phenylacetamide
CID 121363957
N-(5H-chromeno[3,4-c]pyridin-8-yl)-3-cyanopropanamide
CID 78320118
N-(5H-chromeno[3,4-c]pyridin-8-yl)acetamide
CID 78320119
tert-butyl N-(5H-chromeno[3,4-c]pyridin-8-yl)carbamate
CID 90357824
N-(5H-chromeno[3,4-c]pyridin-8-yl)pyrimidine-5-carboxamide
CID 121363949
N-(2-methoxy-1-phenylethyl)-5H-chromeno[3,4-c]pyridine-8-carboxamide
CID 144769773
N-[5-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-pyridinyl]-3-phenoxypropanamide
CID 113036241
3-phenoxy-N-(5-phenyl-3-pyridinyl)propanamide
CID 110713724
3-phenoxy-N-(4-phenoxyphenyl)propanamide
CID 108795457
N-(2-methyl-1,3-benzoxazol-6-yl)-3-phenoxypropanamide
CID 110729007
N-(6-bromo-3-pyridinyl)-3-phenoxypropanamide
CID 110605094
N-(4-tert-butylphenyl)-3-phenoxypropanamide
CID 7658805

Frequently Asked Questions

What is the IUPAC name of N-(5H-chromeno[3,4-c]pyridin-8-yl)-3-phenoxypropanamide?
The IUPAC name of N-(5H-chromeno[3,4-c]pyridin-8-yl)-3-phenoxypropanamide (CID 90466526) is N-(5H-chromeno[3,4-c]pyridin-8-yl)-3-phenoxypropanamide.
What is the SMILES notation for N-(5H-chromeno[3,4-c]pyridin-8-yl)-3-phenoxypropanamide?
The canonical SMILES for N-(5H-chromeno[3,4-c]pyridin-8-yl)-3-phenoxypropanamide is O=C(CCOc1ccccc1)Nc1ccc2c(c1)OCc1cnccc1-2.
What is the InChIKey of N-(5H-chromeno[3,4-c]pyridin-8-yl)-3-phenoxypropanamide?
The InChIKey is GPTRVGSCAPFUGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N2O3/c24-21(9-11-25-17-4-2-1-3-5-17)23-16-6-7-19-18-8-10-22-13-15(18)14-26-20(19)12-16/h1-8,10,12-13H,9,11,14H2,(H,23,24).
What are the key properties of N-(5H-chromeno[3,4-c]pyridin-8-yl)-3-phenoxypropanamide?
N-(5H-chromeno[3,4-c]pyridin-8-yl)-3-phenoxypropanamide has a molecular weight of 346.39 g/mol, XLogP of 4.05, 5 rotatable bonds, 1 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-phenoxypropanamide is sourced from PubChem (CID 90466526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).