N-[2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]pyridine-4-carboxamide;hydrochloride

C18H21ClN2O — CID 110787335

IUPACN-[2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]pyridine-4-carboxamide;hydrochloride
SMILESCl.O=C(NCCc1ccc2c(c1)CCCC2)c1ccncc1
InChIInChI=1S/C18H20N2O.ClH/c21-18(16-8-10-19-11-9-16)20-12-7-14-5-6-15-3-1-2-4-17(15)13-14;/h5-6,8-11,13H,1-4,7,12H2,(H,20,21);1H
InChIKeyIHCMXHFRCDJHHL-UHFFFAOYSA-N
MW316.83 g/mol
LogP3.35
Rot. Bonds4

About N-[2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]pyridine-4-carboxamide;hydrochloride

N-[2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]pyridine-4-carboxamide;hydrochloride (PubChem CID 110787335) has the molecular formula C18H21ClN2O and a molecular weight of 316.83 g/mol. Its IUPAC name is N-[2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]pyridine-4-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]pyridine-4-carboxamide;hydrochloride
PubChem CID110787335
Molecular FormulaC18H21ClN2O
Molecular Weight316.83 g/mol
Exact Mass316.13
IUPAC NameN-[2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]pyridine-4-carboxamide;hydrochloride
SMILESCl.O=C(NCCc1ccc2c(c1)CCCC2)c1ccncc1
InChIInChI=1S/C18H20N2O.ClH/c21-18(16-8-10-19-11-9-16)20-12-7-14-5-6-15-3-1-2-4-17(15)13-14;/h5-6,8-11,13H,1-4,7,12H2,(H,20,21);1H
InChIKeyIHCMXHFRCDJHHL-UHFFFAOYSA-N
XLogP3.35
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.83
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]pyridine-4-carboxamide;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(5,6,7,8-tetrahydronaphthalen-2-ylmethyl)pyridine-4-carboxamide;hydrochloride
CID 110779703
N-(2-pyridin-3-ylethyl)-5,6,7,8-tetrahydronaphthalene-2-carboxamide
CID 24661254
N-[2-(1,3-dihydro-2-benzofuran-5-yl)ethyl]-4-pyridin-4-ylbenzamide
CID 155967045
N-[2-(1,3-dimethyl-2-oxobenzimidazol-5-yl)ethyl]pyridine-4-carboxamide;hydrochloride
CID 110791294
N-[2-(4-ethylphenyl)ethyl]pyridine-4-carboxamide
CID 110787242
N-[2-(2,3-dihydro-1H-inden-5-yl)ethyl]carbamoyl chloride
CID 115194877
N-[2-(4-piperidin-1-ylphenyl)ethyl]pyridine-4-carboxamide
CID 110404973
N-[2-(2-methyl-1,3-benzoxazol-6-yl)ethyl]pyridine-4-carboxamide
CID 110791080
N-[2-(4-cyclopentyloxyphenyl)ethyl]pyridine-4-carboxamide;hydrochloride
CID 110788360
N-[2-(3,4-dimethoxyphenyl)ethyl]-2,3-dihydro-1H-indene-5-carboxamide
CID 9011514
2-amino-N-[2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]acetamide
CID 82495829
N-(2-aminoethyl)-5,6,7,8-tetrahydronaphthalene-2-carboxamide;hydrochloride
CID 119382194

Frequently Asked Questions

What is the IUPAC name of N-[2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]pyridine-4-carboxamide;hydrochloride?
The IUPAC name of N-[2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]pyridine-4-carboxamide;hydrochloride (CID 110787335) is N-[2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]pyridine-4-carboxamide;hydrochloride.
What is the SMILES notation for N-[2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]pyridine-4-carboxamide;hydrochloride?
The canonical SMILES for N-[2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]pyridine-4-carboxamide;hydrochloride is Cl.O=C(NCCc1ccc2c(c1)CCCC2)c1ccncc1.
What is the InChIKey of N-[2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]pyridine-4-carboxamide;hydrochloride?
The InChIKey is IHCMXHFRCDJHHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O.ClH/c21-18(16-8-10-19-11-9-16)20-12-7-14-5-6-15-3-1-2-4-17(15)13-14;/h5-6,8-11,13H,1-4,7,12H2,(H,20,21);1H.
What are the key properties of N-[2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]pyridine-4-carboxamide;hydrochloride?
N-[2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]pyridine-4-carboxamide;hydrochloride has a molecular weight of 316.83 g/mol, XLogP of 3.35, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]pyridine-4-carboxamide;hydrochloride is sourced from PubChem (CID 110787335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).