N-[1-[4-(pyridin-3-ylmethoxy)phenyl]ethyl]-2H-chromene-3-carboxamide

C24H22N2O3 — CID 55706047

IUPACN-[1-[4-(pyridin-3-ylmethoxy)phenyl]ethyl]-2H-chromene-3-carboxamide
SMILESCC(NC(=O)C1=Cc2ccccc2OC1)c1ccc(OCc2cccnc2)cc1
InChIInChI=1S/C24H22N2O3/c1-17(26-24(27)21-13-20-6-2-3-7-23(20)29-16-21)19-8-10-22(11-9-19)28-15-18-5-4-12-25-14-18/h2-14,17H,15-16H2,1H3,(H,26,27)
InChIKeyZZZTWEMCCNXQLL-UHFFFAOYSA-N
MW386.45 g/mol
LogP4.31
Rot. Bonds6

About N-[1-[4-(pyridin-3-ylmethoxy)phenyl]ethyl]-2H-chromene-3-carboxamide

N-[1-[4-(pyridin-3-ylmethoxy)phenyl]ethyl]-2H-chromene-3-carboxamide (PubChem CID 55706047) has the molecular formula C24H22N2O3 and a molecular weight of 386.45 g/mol. Its IUPAC name is N-[1-[4-(pyridin-3-ylmethoxy)phenyl]ethyl]-2H-chromene-3-carboxamide.

Molecular Properties

Compound NameN-[1-[4-(pyridin-3-ylmethoxy)phenyl]ethyl]-2H-chromene-3-carboxamide
PubChem CID55706047
Molecular FormulaC24H22N2O3
Molecular Weight386.45 g/mol
Exact Mass386.16
IUPAC NameN-[1-[4-(pyridin-3-ylmethoxy)phenyl]ethyl]-2H-chromene-3-carboxamide
SMILESCC(NC(=O)C1=Cc2ccccc2OC1)c1ccc(OCc2cccnc2)cc1
InChIInChI=1S/C24H22N2O3/c1-17(26-24(27)21-13-20-6-2-3-7-23(20)29-16-21)19-8-10-22(11-9-19)28-15-18-5-4-12-25-14-18/h2-14,17H,15-16H2,1H3,(H,26,27)
InChIKeyZZZTWEMCCNXQLL-UHFFFAOYSA-N
XLogP4.31
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.45
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-(methoxymethyl)-N-[1-[4-(pyridin-3-ylmethoxy)phenyl]ethyl]furan-2-carboxamide
CID 78872272
5-bromo-N-[1-[4-(pyridin-3-ylmethoxy)phenyl]ethyl]furan-2-carboxamide
CID 55692986
2-propan-2-ylsulfanyl-N-[1-[4-(pyridin-3-ylmethoxy)phenyl]ethyl]benzamide
CID 55967852
1-(2,2-difluoroethyl)-1-methyl-3-[1-[4-(pyridin-3-ylmethoxy)phenyl]ethyl]urea
CID 71879259
1-(2,2-difluoroethyl)-1-methyl-3-[(1S)-1-[4-(pyridin-3-ylmethoxy)phenyl]ethyl]urea
CID 97020773
2,5-dimethyl-N-[1-[4-(pyridin-3-ylmethoxy)phenyl]ethyl]benzamide
CID 46454003
N-[3-oxo-1-phenyl-3-[1-[4-(pyridin-3-ylmethoxy)phenyl]ethylamino]propyl]benzamide
CID 55693376
4-bromo-5-propan-2-yl-N-[1-[4-(pyridin-3-ylmethoxy)phenyl]ethyl]-1H-pyrazole-3-carboxamide
CID 56567640
2-(2-phenylethoxy)-N-[1-[4-(pyridin-3-ylmethoxy)phenyl]ethyl]acetamide
CID 86871872
2-(2,3-dihydro-1H-inden-1-yl)-N-[1-[4-(pyridin-3-ylmethoxy)phenyl]ethyl]acetamide
CID 86955542
4-(phenoxymethyl)-N-[(1R)-1-pyridin-3-ylethyl]benzamide
CID 39952477
2-(2-oxo-1-pyridinyl)-N-[1-[4-(pyridin-3-ylmethoxy)phenyl]ethyl]acetamide
CID 46470469

Frequently Asked Questions

What is the IUPAC name of N-[1-[4-(pyridin-3-ylmethoxy)phenyl]ethyl]-2H-chromene-3-carboxamide?
The IUPAC name of N-[1-[4-(pyridin-3-ylmethoxy)phenyl]ethyl]-2H-chromene-3-carboxamide (CID 55706047) is N-[1-[4-(pyridin-3-ylmethoxy)phenyl]ethyl]-2H-chromene-3-carboxamide.
What is the SMILES notation for N-[1-[4-(pyridin-3-ylmethoxy)phenyl]ethyl]-2H-chromene-3-carboxamide?
The canonical SMILES for N-[1-[4-(pyridin-3-ylmethoxy)phenyl]ethyl]-2H-chromene-3-carboxamide is CC(NC(=O)C1=Cc2ccccc2OC1)c1ccc(OCc2cccnc2)cc1.
What is the InChIKey of N-[1-[4-(pyridin-3-ylmethoxy)phenyl]ethyl]-2H-chromene-3-carboxamide?
The InChIKey is ZZZTWEMCCNXQLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N2O3/c1-17(26-24(27)21-13-20-6-2-3-7-23(20)29-16-21)19-8-10-22(11-9-19)28-15-18-5-4-12-25-14-18/h2-14,17H,15-16H2,1H3,(H,26,27).
What are the key properties of N-[1-[4-(pyridin-3-ylmethoxy)phenyl]ethyl]-2H-chromene-3-carboxamide?
N-[1-[4-(pyridin-3-ylmethoxy)phenyl]ethyl]-2H-chromene-3-carboxamide has a molecular weight of 386.45 g/mol, XLogP of 4.31, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[4-(pyridin-3-ylmethoxy)phenyl]ethyl]-2H-chromene-3-carboxamide is sourced from PubChem (CID 55706047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).