N-(5,6,7,8-tetrahydronaphthalen-2-ylmethyl)pyridine-4-carboxamide;hydrochloride

C17H19ClN2O — CID 110779703

IUPACN-(5,6,7,8-tetrahydronaphthalen-2-ylmethyl)pyridine-4-carboxamide;hydrochloride
SMILESCl.O=C(NCc1ccc2c(c1)CCCC2)c1ccncc1
InChIInChI=1S/C17H18N2O.ClH/c20-17(15-7-9-18-10-8-15)19-12-13-5-6-14-3-1-2-4-16(14)11-13;/h5-11H,1-4,12H2,(H,19,20);1H
InChIKeyRADAZIXERGKFKU-UHFFFAOYSA-N
MW302.81 g/mol
LogP3.31
Rot. Bonds3

About N-(5,6,7,8-tetrahydronaphthalen-2-ylmethyl)pyridine-4-carboxamide;hydrochloride

N-(5,6,7,8-tetrahydronaphthalen-2-ylmethyl)pyridine-4-carboxamide;hydrochloride (PubChem CID 110779703) has the molecular formula C17H19ClN2O and a molecular weight of 302.81 g/mol. Its IUPAC name is N-(5,6,7,8-tetrahydronaphthalen-2-ylmethyl)pyridine-4-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-(5,6,7,8-tetrahydronaphthalen-2-ylmethyl)pyridine-4-carboxamide;hydrochloride
PubChem CID110779703
Molecular FormulaC17H19ClN2O
Molecular Weight302.81 g/mol
Exact Mass302.12
IUPAC NameN-(5,6,7,8-tetrahydronaphthalen-2-ylmethyl)pyridine-4-carboxamide;hydrochloride
SMILESCl.O=C(NCc1ccc2c(c1)CCCC2)c1ccncc1
InChIInChI=1S/C17H18N2O.ClH/c20-17(15-7-9-18-10-8-15)19-12-13-5-6-14-3-1-2-4-16(14)11-13;/h5-11H,1-4,12H2,(H,19,20);1H
InChIKeyRADAZIXERGKFKU-UHFFFAOYSA-N
XLogP3.31
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.81
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]pyridine-4-carboxamide;hydrochloride
CID 110787335
N-(2,3-dihydro-1-benzofuran-5-ylmethyl)pyridine-4-carboxamide;hydrochloride
CID 110787070
4-acetamido-N-(5,6,7,8-tetrahydronaphthalen-2-ylmethyl)benzamide
CID 110793382
N-benzylpyridine-4-carboxamide;hydrochloride
CID 110755427
N-(1,3-benzodioxol-5-ylmethyl)pyridine-4-carboxamide
CID 2089022
N-[[4-(bromomethyl)phenyl]methyl]pyridine-4-carboxamide
CID 107233792
3-amino-N-(2,3-dihydro-1H-inden-5-ylmethyl)benzamide
CID 115160767
N-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)methyl]pyridine-4-carboxamide;hydrochloride
CID 110785256
3-acetamido-N-(2,3-dihydro-1H-inden-5-ylmethyl)benzamide
CID 110793524
N-[(3-hydroxyphenyl)methyl]pyridine-4-carboxamide
CID 47292120
N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide
CID 37424935
N-[(4-methylsulfanylphenyl)methyl]pyridine-4-carboxamide;hydrochloride
CID 110784452

Frequently Asked Questions

What is the IUPAC name of N-(5,6,7,8-tetrahydronaphthalen-2-ylmethyl)pyridine-4-carboxamide;hydrochloride?
The IUPAC name of N-(5,6,7,8-tetrahydronaphthalen-2-ylmethyl)pyridine-4-carboxamide;hydrochloride (CID 110779703) is N-(5,6,7,8-tetrahydronaphthalen-2-ylmethyl)pyridine-4-carboxamide;hydrochloride.
What is the SMILES notation for N-(5,6,7,8-tetrahydronaphthalen-2-ylmethyl)pyridine-4-carboxamide;hydrochloride?
The canonical SMILES for N-(5,6,7,8-tetrahydronaphthalen-2-ylmethyl)pyridine-4-carboxamide;hydrochloride is Cl.O=C(NCc1ccc2c(c1)CCCC2)c1ccncc1.
What is the InChIKey of N-(5,6,7,8-tetrahydronaphthalen-2-ylmethyl)pyridine-4-carboxamide;hydrochloride?
The InChIKey is RADAZIXERGKFKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O.ClH/c20-17(15-7-9-18-10-8-15)19-12-13-5-6-14-3-1-2-4-16(14)11-13;/h5-11H,1-4,12H2,(H,19,20);1H.
What are the key properties of N-(5,6,7,8-tetrahydronaphthalen-2-ylmethyl)pyridine-4-carboxamide;hydrochloride?
N-(5,6,7,8-tetrahydronaphthalen-2-ylmethyl)pyridine-4-carboxamide;hydrochloride has a molecular weight of 302.81 g/mol, XLogP of 3.31, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5,6,7,8-tetrahydronaphthalen-2-ylmethyl)pyridine-4-carboxamide;hydrochloride is sourced from PubChem (CID 110779703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).