N-(pyridin-3-ylmethyl)-2,3-dihydro-1H-benzo[f]chromene-2-carboxamide

C20H18N2O2 — CID 166322099

IUPACN-(pyridin-3-ylmethyl)-2,3-dihydro-1H-benzo[f]chromene-2-carboxamide
SMILESO=C(NCc1cccnc1)C1COc2ccc3ccccc3c2C1
InChIInChI=1S/C20H18N2O2/c23-20(22-12-14-4-3-9-21-11-14)16-10-18-17-6-2-1-5-15(17)7-8-19(18)24-13-16/h1-9,11,16H,10,12-13H2,(H,22,23)
InChIKeyINZODRQPMNAORQ-UHFFFAOYSA-N
MW318.38 g/mol
LogP3.10
Rot. Bonds3

About N-(pyridin-3-ylmethyl)-2,3-dihydro-1H-benzo[f]chromene-2-carboxamide

N-(pyridin-3-ylmethyl)-2,3-dihydro-1H-benzo[f]chromene-2-carboxamide (PubChem CID 166322099) has the molecular formula C20H18N2O2 and a molecular weight of 318.38 g/mol. Its IUPAC name is N-(pyridin-3-ylmethyl)-2,3-dihydro-1H-benzo[f]chromene-2-carboxamide.

Molecular Properties

Compound NameN-(pyridin-3-ylmethyl)-2,3-dihydro-1H-benzo[f]chromene-2-carboxamide
PubChem CID166322099
Molecular FormulaC20H18N2O2
Molecular Weight318.38 g/mol
Exact Mass318.14
IUPAC NameN-(pyridin-3-ylmethyl)-2,3-dihydro-1H-benzo[f]chromene-2-carboxamide
SMILESO=C(NCc1cccnc1)C1COc2ccc3ccccc3c2C1
InChIInChI=1S/C20H18N2O2/c23-20(22-12-14-4-3-9-21-11-14)16-10-18-17-6-2-1-5-15(17)7-8-19(18)24-13-16/h1-9,11,16H,10,12-13H2,(H,22,23)
InChIKeyINZODRQPMNAORQ-UHFFFAOYSA-N
XLogP3.10
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.38
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3-methoxyphenyl)methyl]-5H-[1]benzopyrano[3,4-c]pyridine-8-carboxamide
CID 121363591
N-[(1R)-1-(3-methoxyphenyl)ethyl]-5H-chromeno[3,4-c]pyridine-8-carboxamide
CID 86764444
[3-(7-Piperidin-4-yloxyisoquinolin-6-yl)phenyl]methanamine
CID 42618142
[4-(7-Piperidin-4-yloxyisoquinolin-6-yl)phenyl]methanamine
CID 42618143
6-Phenyl-7-(piperidin-4-yloxy)isoquinoline
CID 42618144
6-Phenyl-7-(piperidin-3-ylmethoxy)isoquinoline
CID 42618154
3-(1-Butyl-4-methoxy-naphthalen-2-yl)-N-(1-methyl-4-pyridin-3-yl-butyl)-acrylamide
CID 10002808
[3-(5-Methoxy-naphthalen-1-yl)-propyl]-[2-(pyridin-2-yloxy)-ethyl]-amine
CID 11782656
N-[2-(7-Pyridin-3-yl-1,6-dihydro-2H-indeno[5,4-b]furan-8-yl)-ethyl]acetamide
CID 53238185
ethyl 3-amino-1-(pyridin-3-yl)-1H-benzo[f]chromene-2-carboxylate
CID 2875886
n-[(3s)-5-Pyridin-4-yl-3,4-dihydro-2h-chromen-3-yl]-4-(trifluoromethoxy)benzamide
CID 25113806
N-[2-[2-(dimethylamino)ethoxy]-4-pyridin-4-ylphenyl]-6-methoxy-3,4-dihydro-2H-chromene-3-carboxamide
CID 58310563

Frequently Asked Questions

What is the IUPAC name of N-(pyridin-3-ylmethyl)-2,3-dihydro-1H-benzo[f]chromene-2-carboxamide?
The IUPAC name of N-(pyridin-3-ylmethyl)-2,3-dihydro-1H-benzo[f]chromene-2-carboxamide (CID 166322099) is N-(pyridin-3-ylmethyl)-2,3-dihydro-1H-benzo[f]chromene-2-carboxamide.
What is the SMILES notation for N-(pyridin-3-ylmethyl)-2,3-dihydro-1H-benzo[f]chromene-2-carboxamide?
The canonical SMILES for N-(pyridin-3-ylmethyl)-2,3-dihydro-1H-benzo[f]chromene-2-carboxamide is O=C(NCc1cccnc1)C1COc2ccc3ccccc3c2C1.
What is the InChIKey of N-(pyridin-3-ylmethyl)-2,3-dihydro-1H-benzo[f]chromene-2-carboxamide?
The InChIKey is INZODRQPMNAORQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N2O2/c23-20(22-12-14-4-3-9-21-11-14)16-10-18-17-6-2-1-5-15(17)7-8-19(18)24-13-16/h1-9,11,16H,10,12-13H2,(H,22,23).
What are the key properties of N-(pyridin-3-ylmethyl)-2,3-dihydro-1H-benzo[f]chromene-2-carboxamide?
N-(pyridin-3-ylmethyl)-2,3-dihydro-1H-benzo[f]chromene-2-carboxamide has a molecular weight of 318.38 g/mol, XLogP of 3.10, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(pyridin-3-ylmethyl)-2,3-dihydro-1H-benzo[f]chromene-2-carboxamide is sourced from PubChem (CID 166322099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).