benzamide;4-oxo-7-(pyridin-4-ylmethoxy)-2,3-dihydrochromene-5-carbonitrile

C23H19N3O4 — CID 156871230

IUPACbenzamide;4-oxo-7-(pyridin-4-ylmethoxy)-2,3-dihydrochromene-5-carbonitrile
SMILESN#Cc1cc(OCc2ccncc2)cc2c1C(=O)CCO2.NC(=O)c1ccccc1
InChIInChI=1S/C16H12N2O3.C7H7NO/c17-9-12-7-13(21-10-11-1-4-18-5-2-11)8-15-16(12)14(19)3-6-20-15;8-7(9)6-4-2-1-3-5-6/h1-2,4-5,7-8H,3,6,10H2;1-5H,(H2,8,9)
InChIKeyLBZJIXBKQHOOQN-UHFFFAOYSA-N
MW401.42 g/mol
LogP3.28
Rot. Bonds4

About benzamide;4-oxo-7-(pyridin-4-ylmethoxy)-2,3-dihydrochromene-5-carbonitrile

benzamide;4-oxo-7-(pyridin-4-ylmethoxy)-2,3-dihydrochromene-5-carbonitrile (PubChem CID 156871230) has the molecular formula C23H19N3O4 and a molecular weight of 401.42 g/mol. Its IUPAC name is benzamide;4-oxo-7-(pyridin-4-ylmethoxy)-2,3-dihydrochromene-5-carbonitrile.

Molecular Properties

Compound Namebenzamide;4-oxo-7-(pyridin-4-ylmethoxy)-2,3-dihydrochromene-5-carbonitrile
PubChem CID156871230
Molecular FormulaC23H19N3O4
Molecular Weight401.42 g/mol
Exact Mass401.14
IUPAC Namebenzamide;4-oxo-7-(pyridin-4-ylmethoxy)-2,3-dihydrochromene-5-carbonitrile
SMILESN#Cc1cc(OCc2ccncc2)cc2c1C(=O)CCO2.NC(=O)c1ccccc1
InChIInChI=1S/C16H12N2O3.C7H7NO/c17-9-12-7-13(21-10-11-1-4-18-5-2-11)8-15-16(12)14(19)3-6-20-15;8-7(9)6-4-2-1-3-5-6/h1-2,4-5,7-8H,3,6,10H2;1-5H,(H2,8,9)
InChIKeyLBZJIXBKQHOOQN-UHFFFAOYSA-N
XLogP3.28
TPSA115.30 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.42
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-[[2-[(5-ethyl-4-oxo-2,3-dihydrochromen-7-yl)oxy]-4-pyridinyl]methyl]benzamide
CID 156871260
3-[(4-cyanophenyl)methoxy]benzamide
CID 18354600
benzamide;pyridine-4-carboxamide
CID 175267661
3-fluoro-5-phenylmethoxybenzamide
CID 155798135
2-acetyl-3-amino-5-phenylmethoxybenzonitrile
CID 91863661
4-[(4-cyanophenoxy)methyl]benzamide
CID 11831905
7-[[4-[(4-methoxyphenyl)methoxy]phenyl]-pyridin-4-ylmethoxy]-2,3-dihydrochromen-4-one
CID 156870991
benzamide;pyrazine
CID 67119172
5,7-bis(phenylmethoxy)-3,4-dihydro-2H-chromene
CID 123448415
4-[[2-[(4-oxo-8-phenyl-2,3-dihydrochromen-7-yl)oxy]-4-pyridinyl]methyl]benzamide
CID 156870878
4-[[2-[(4-oxo-2,3-dihydrochromen-7-yl)oxy]-3-(trifluoromethyl)-4-pyridinyl]methyl]benzamide
CID 156871512
2-phenyl-3-pyridin-4-yl-5-(quinolin-2-ylmethoxy)benzonitrile
CID 67026359

Frequently Asked Questions

What is the IUPAC name of benzamide;4-oxo-7-(pyridin-4-ylmethoxy)-2,3-dihydrochromene-5-carbonitrile?
The IUPAC name of benzamide;4-oxo-7-(pyridin-4-ylmethoxy)-2,3-dihydrochromene-5-carbonitrile (CID 156871230) is benzamide;4-oxo-7-(pyridin-4-ylmethoxy)-2,3-dihydrochromene-5-carbonitrile.
What is the SMILES notation for benzamide;4-oxo-7-(pyridin-4-ylmethoxy)-2,3-dihydrochromene-5-carbonitrile?
The canonical SMILES for benzamide;4-oxo-7-(pyridin-4-ylmethoxy)-2,3-dihydrochromene-5-carbonitrile is N#Cc1cc(OCc2ccncc2)cc2c1C(=O)CCO2.NC(=O)c1ccccc1.
What is the InChIKey of benzamide;4-oxo-7-(pyridin-4-ylmethoxy)-2,3-dihydrochromene-5-carbonitrile?
The InChIKey is LBZJIXBKQHOOQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12N2O3.C7H7NO/c17-9-12-7-13(21-10-11-1-4-18-5-2-11)8-15-16(12)14(19)3-6-20-15;8-7(9)6-4-2-1-3-5-6/h1-2,4-5,7-8H,3,6,10H2;1-5H,(H2,8,9).
What are the key properties of benzamide;4-oxo-7-(pyridin-4-ylmethoxy)-2,3-dihydrochromene-5-carbonitrile?
benzamide;4-oxo-7-(pyridin-4-ylmethoxy)-2,3-dihydrochromene-5-carbonitrile has a molecular weight of 401.42 g/mol, XLogP of 3.28, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for benzamide;4-oxo-7-(pyridin-4-ylmethoxy)-2,3-dihydrochromene-5-carbonitrile is sourced from PubChem (CID 156871230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).