N-(3-methoxy-5,6,7,8-tetrahydronaphthalen-2-yl)pyridine-3-carboxamide

C17H18N2O2 — CID 649049

IUPACN-(3-methoxy-5,6,7,8-tetrahydronaphthalen-2-yl)pyridine-3-carboxamide
SMILESCOc1cc2c(cc1NC(=O)c1cccnc1)CCCC2
InChIInChI=1S/C17H18N2O2/c1-21-16-10-13-6-3-2-5-12(13)9-15(16)19-17(20)14-7-4-8-18-11-14/h4,7-11H,2-3,5-6H2,1H3,(H,19,20)
InChIKeyDANRTRUDWSEVLU-UHFFFAOYSA-N
MW282.34 g/mol
LogP3.22
Rot. Bonds3

About N-(3-methoxy-5,6,7,8-tetrahydronaphthalen-2-yl)pyridine-3-carboxamide

N-(3-methoxy-5,6,7,8-tetrahydronaphthalen-2-yl)pyridine-3-carboxamide (PubChem CID 649049) has the molecular formula C17H18N2O2 and a molecular weight of 282.34 g/mol. Its IUPAC name is N-(3-methoxy-5,6,7,8-tetrahydronaphthalen-2-yl)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(3-methoxy-5,6,7,8-tetrahydronaphthalen-2-yl)pyridine-3-carboxamide
PubChem CID649049
Molecular FormulaC17H18N2O2
Molecular Weight282.34 g/mol
Exact Mass282.14
IUPAC NameN-(3-methoxy-5,6,7,8-tetrahydronaphthalen-2-yl)pyridine-3-carboxamide
SMILESCOc1cc2c(cc1NC(=O)c1cccnc1)CCCC2
InChIInChI=1S/C17H18N2O2/c1-21-16-10-13-6-3-2-5-12(13)9-15(16)19-17(20)14-7-4-8-18-11-14/h4,7-11H,2-3,5-6H2,1H3,(H,19,20)
InChIKeyDANRTRUDWSEVLU-UHFFFAOYSA-N
XLogP3.22
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.34
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-Amino-6,8,9-trimethyl-pyrido(2,3-b)(1,5)benzoxazepin-5(6H)-one
CID 453975
3-Amino-6-ethyl-8,9-dimethyl-pyrido[2,3-b][1,5]benzoxazepin-5(6H)-one
CID 453976
3-Amino-8,9-dimethyl-6-isopropyl-pyrido(2,3-b)(1,5)benzoxazepin-5(6H)-one
CID 453977
N-(3,4-dimethylphenyl)-2-{4-[2-(3-pyridinylcarbonyl)carbohydrazonoyl]phenoxy}acetamide
CID 5455683
N-[1-(2-Methoxy-phenylcarbamoyl)-2-pyridin-4-yl-vinyl]-benzamide
CID 5761053
N-{3-[2-(3,4-Dimethyl-phenoxy)-acetylamino]-propyl}-nicotinamide
CID 6490918
N-[5-(butan-2-yl)-2-hydroxyphenyl]pyridine-3-carboxamide
CID 2999843
N-(2-methoxyphenyl)nicotinamide
CID 787042
N-{3-[4-(2-Methoxy-phenyl)-piperazin-1-yl]-propyl}-nicotinamide
CID 9998277
N-{4-[4-(2-Methoxy-phenyl)-piperazin-1-yl]-butyl}-nicotinamide
CID 10067621
4-methoxy-3-(4-methylpiperazin-1-yl)-N-(4-pyridin-4-ylphenyl)benzamide
CID 10250531
5-[(4-Methoxybenzoyl)amino]-2-methyl-n-pyridin-3-ylbenzamide
CID 44571914

Frequently Asked Questions

What is the IUPAC name of N-(3-methoxy-5,6,7,8-tetrahydronaphthalen-2-yl)pyridine-3-carboxamide?
The IUPAC name of N-(3-methoxy-5,6,7,8-tetrahydronaphthalen-2-yl)pyridine-3-carboxamide (CID 649049) is N-(3-methoxy-5,6,7,8-tetrahydronaphthalen-2-yl)pyridine-3-carboxamide.
What is the SMILES notation for N-(3-methoxy-5,6,7,8-tetrahydronaphthalen-2-yl)pyridine-3-carboxamide?
The canonical SMILES for N-(3-methoxy-5,6,7,8-tetrahydronaphthalen-2-yl)pyridine-3-carboxamide is COc1cc2c(cc1NC(=O)c1cccnc1)CCCC2.
What is the InChIKey of N-(3-methoxy-5,6,7,8-tetrahydronaphthalen-2-yl)pyridine-3-carboxamide?
The InChIKey is DANRTRUDWSEVLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O2/c1-21-16-10-13-6-3-2-5-12(13)9-15(16)19-17(20)14-7-4-8-18-11-14/h4,7-11H,2-3,5-6H2,1H3,(H,19,20).
What are the key properties of N-(3-methoxy-5,6,7,8-tetrahydronaphthalen-2-yl)pyridine-3-carboxamide?
N-(3-methoxy-5,6,7,8-tetrahydronaphthalen-2-yl)pyridine-3-carboxamide has a molecular weight of 282.34 g/mol, XLogP of 3.22, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxy-5,6,7,8-tetrahydronaphthalen-2-yl)pyridine-3-carboxamide is sourced from PubChem (CID 649049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).