N-(pyridin-3-ylmethyl)tricyclo[4.3.0.02,4]nona-1,4,6,8-tetraene-7-carboxamide

C16H12N2O — CID 141292896

IUPACN-(pyridin-3-ylmethyl)tricyclo[4.3.0.02,4]nona-1,4,6,8-tetraene-7-carboxamide
SMILESO=C(NCc1cccnc1)C1=C2C=C3CC3=C2C=C1
InChIInChI=1S/C16H12N2O/c19-16(18-9-10-2-1-5-17-8-10)13-4-3-12-14-6-11(14)7-15(12)13/h1-5,7-8H,6,9H2,(H,18,19)
InChIKeyWXSJYDWOVTXHML-UHFFFAOYSA-N
MW248.28 g/mol
LogP2.20
Rot. Bonds3

About N-(pyridin-3-ylmethyl)tricyclo[4.3.0.02,4]nona-1,4,6,8-tetraene-7-carboxamide

N-(pyridin-3-ylmethyl)tricyclo[4.3.0.02,4]nona-1,4,6,8-tetraene-7-carboxamide (PubChem CID 141292896) has the molecular formula C16H12N2O and a molecular weight of 248.28 g/mol. Its IUPAC name is N-(pyridin-3-ylmethyl)tricyclo[4.3.0.02,4]nona-1,4,6,8-tetraene-7-carboxamide.

Molecular Properties

Compound NameN-(pyridin-3-ylmethyl)tricyclo[4.3.0.02,4]nona-1,4,6,8-tetraene-7-carboxamide
PubChem CID141292896
Molecular FormulaC16H12N2O
Molecular Weight248.28 g/mol
Exact Mass248.09
IUPAC NameN-(pyridin-3-ylmethyl)tricyclo[4.3.0.02,4]nona-1,4,6,8-tetraene-7-carboxamide
SMILESO=C(NCc1cccnc1)C1=C2C=C3CC3=C2C=C1
InChIInChI=1S/C16H12N2O/c19-16(18-9-10-2-1-5-17-8-10)13-4-3-12-14-6-11(14)7-15(12)13/h1-5,7-8H,6,9H2,(H,18,19)
InChIKeyWXSJYDWOVTXHML-UHFFFAOYSA-N
XLogP2.20
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.28
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(pyridin-3-ylmethyl)pyridine-3-carboxamide;hydrochloride
CID 110755498
2,3,5,6-tetrafluoro-1-N,4-N-bis(pyridin-3-ylmethyl)benzene-1,4-dicarboxamide
CID 1204787
N-(pyridin-3-ylmethyl)-2-[2-(pyridin-3-ylmethylcarbamoyl)phenyl]benzamide
CID 1279662
N-(pyridin-3-ylmethyl)carbamate
CID 19082872
2-chloro-N-(pyridin-3-ylmethyl)benzamide
CID 669068
1-N,1-N'-bis(pyridin-3-ylmethyl)cyclopropane-1,1-dicarboxamide
CID 108976772
3-methoxy-N-(pyridin-3-ylmethyl)propanamide
CID 110839174
3-bromo-N-(pyridin-3-ylmethyl)pyridine-2-carboxamide
CID 107517841
2-(4-phenylphenyl)-N-(pyridin-3-ylmethyl)acetamide
CID 801778
4-(aminomethyl)-N-(pyridin-3-ylmethyl)benzamide
CID 28545926
5-bromo-N-(pyridin-3-ylmethyl)furan-2-carboxamide
CID 750404
3-methyl-N-(pyridin-3-ylmethyl)pyridine-4-carboxamide
CID 110852100

Frequently Asked Questions

What is the IUPAC name of N-(pyridin-3-ylmethyl)tricyclo[4.3.0.02,4]nona-1,4,6,8-tetraene-7-carboxamide?
The IUPAC name of N-(pyridin-3-ylmethyl)tricyclo[4.3.0.02,4]nona-1,4,6,8-tetraene-7-carboxamide (CID 141292896) is N-(pyridin-3-ylmethyl)tricyclo[4.3.0.02,4]nona-1,4,6,8-tetraene-7-carboxamide.
What is the SMILES notation for N-(pyridin-3-ylmethyl)tricyclo[4.3.0.02,4]nona-1,4,6,8-tetraene-7-carboxamide?
The canonical SMILES for N-(pyridin-3-ylmethyl)tricyclo[4.3.0.02,4]nona-1,4,6,8-tetraene-7-carboxamide is O=C(NCc1cccnc1)C1=C2C=C3CC3=C2C=C1.
What is the InChIKey of N-(pyridin-3-ylmethyl)tricyclo[4.3.0.02,4]nona-1,4,6,8-tetraene-7-carboxamide?
The InChIKey is WXSJYDWOVTXHML-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12N2O/c19-16(18-9-10-2-1-5-17-8-10)13-4-3-12-14-6-11(14)7-15(12)13/h1-5,7-8H,6,9H2,(H,18,19).
What are the key properties of N-(pyridin-3-ylmethyl)tricyclo[4.3.0.02,4]nona-1,4,6,8-tetraene-7-carboxamide?
N-(pyridin-3-ylmethyl)tricyclo[4.3.0.02,4]nona-1,4,6,8-tetraene-7-carboxamide has a molecular weight of 248.28 g/mol, XLogP of 2.20, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(pyridin-3-ylmethyl)tricyclo[4.3.0.02,4]nona-1,4,6,8-tetraene-7-carboxamide is sourced from PubChem (CID 141292896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).