N-(2-pyridin-3-ylethyl)-5,6,7,8-tetrahydronaphthalene-2-carboxamide

C18H20N2O — CID 24661254

IUPACN-(2-pyridin-3-ylethyl)-5,6,7,8-tetrahydronaphthalene-2-carboxamide
SMILESO=C(NCCc1cccnc1)c1ccc2c(c1)CCCC2
InChIInChI=1S/C18H20N2O/c21-18(20-11-9-14-4-3-10-19-13-14)17-8-7-15-5-1-2-6-16(15)12-17/h3-4,7-8,10,12-13H,1-2,5-6,9,11H2,(H,20,21)
InChIKeyXDXUXSGSPMMPQR-UHFFFAOYSA-N
MW280.37 g/mol
LogP2.93
Rot. Bonds4

About N-(2-pyridin-3-ylethyl)-5,6,7,8-tetrahydronaphthalene-2-carboxamide

N-(2-pyridin-3-ylethyl)-5,6,7,8-tetrahydronaphthalene-2-carboxamide (PubChem CID 24661254) has the molecular formula C18H20N2O and a molecular weight of 280.37 g/mol. Its IUPAC name is N-(2-pyridin-3-ylethyl)-5,6,7,8-tetrahydronaphthalene-2-carboxamide.

Molecular Properties

Compound NameN-(2-pyridin-3-ylethyl)-5,6,7,8-tetrahydronaphthalene-2-carboxamide
PubChem CID24661254
Molecular FormulaC18H20N2O
Molecular Weight280.37 g/mol
Exact Mass280.16
IUPAC NameN-(2-pyridin-3-ylethyl)-5,6,7,8-tetrahydronaphthalene-2-carboxamide
SMILESO=C(NCCc1cccnc1)c1ccc2c(c1)CCCC2
InChIInChI=1S/C18H20N2O/c21-18(20-11-9-14-4-3-10-19-13-14)17-8-7-15-5-1-2-6-16(15)12-17/h3-4,7-8,10,12-13H,1-2,5-6,9,11H2,(H,20,21)
InChIKeyXDXUXSGSPMMPQR-UHFFFAOYSA-N
XLogP2.93
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-amino-N-(2-pyridin-3-ylethyl)benzamide
CID 60895367
N-[2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]pyridine-4-carboxamide;hydrochloride
CID 110787335
N-(2-pyridin-3-ylethyl)-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-2-carboxamide
CID 39560992
3-(aminomethyl)-N-(2-pyridin-3-ylethyl)benzamide
CID 60895534
4-bromo-3-methyl-N-(2-pyridin-3-ylethyl)benzamide
CID 67386076
4-amino-3-methoxy-N-(2-pyridin-3-ylethyl)benzamide
CID 104782485
N-[2-(1-phenylpyrazol-4-yl)ethyl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide
CID 16613811
2-bromo-N-(2-pyridin-3-ylethyl)pyridine-4-carboxamide
CID 103752224
4-amino-3,5-difluoro-N-(2-pyridin-3-ylethyl)benzamide
CID 63185192
3-methyl-4-(methylamino)-N-(2-pyridin-3-ylethyl)benzamide
CID 63210322
2-(aminomethyl)-N-(2-pyridin-3-ylethyl)pyridine-4-carboxamide
CID 112530316
N-[2-(1-benzylimidazol-2-yl)ethyl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide
CID 134039749

Frequently Asked Questions

What is the IUPAC name of N-(2-pyridin-3-ylethyl)-5,6,7,8-tetrahydronaphthalene-2-carboxamide?
The IUPAC name of N-(2-pyridin-3-ylethyl)-5,6,7,8-tetrahydronaphthalene-2-carboxamide (CID 24661254) is N-(2-pyridin-3-ylethyl)-5,6,7,8-tetrahydronaphthalene-2-carboxamide.
What is the SMILES notation for N-(2-pyridin-3-ylethyl)-5,6,7,8-tetrahydronaphthalene-2-carboxamide?
The canonical SMILES for N-(2-pyridin-3-ylethyl)-5,6,7,8-tetrahydronaphthalene-2-carboxamide is O=C(NCCc1cccnc1)c1ccc2c(c1)CCCC2.
What is the InChIKey of N-(2-pyridin-3-ylethyl)-5,6,7,8-tetrahydronaphthalene-2-carboxamide?
The InChIKey is XDXUXSGSPMMPQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O/c21-18(20-11-9-14-4-3-10-19-13-14)17-8-7-15-5-1-2-6-16(15)12-17/h3-4,7-8,10,12-13H,1-2,5-6,9,11H2,(H,20,21).
What are the key properties of N-(2-pyridin-3-ylethyl)-5,6,7,8-tetrahydronaphthalene-2-carboxamide?
N-(2-pyridin-3-ylethyl)-5,6,7,8-tetrahydronaphthalene-2-carboxamide has a molecular weight of 280.37 g/mol, XLogP of 2.93, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-pyridin-3-ylethyl)-5,6,7,8-tetrahydronaphthalene-2-carboxamide is sourced from PubChem (CID 24661254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).