N-(pyrrolidin-2-ylmethyl)naphthalene-2-carboxamide;hydrochloride

C16H19ClN2O — CID 119514272

IUPACN-(pyrrolidin-2-ylmethyl)naphthalene-2-carboxamide;hydrochloride
SMILESCl.O=C(NCC1CCCN1)c1ccc2ccccc2c1
InChIInChI=1S/C16H18N2O.ClH/c19-16(18-11-15-6-3-9-17-15)14-8-7-12-4-1-2-5-13(12)10-14;/h1-2,4-5,7-8,10,15,17H,3,6,9,11H2,(H,18,19);1H
InChIKeyHDWICEBNZDOYOO-UHFFFAOYSA-N
MW290.79 g/mol
LogP2.74
Rot. Bonds3

About N-(pyrrolidin-2-ylmethyl)naphthalene-2-carboxamide;hydrochloride

N-(pyrrolidin-2-ylmethyl)naphthalene-2-carboxamide;hydrochloride (PubChem CID 119514272) has the molecular formula C16H19ClN2O and a molecular weight of 290.79 g/mol. Its IUPAC name is N-(pyrrolidin-2-ylmethyl)naphthalene-2-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-(pyrrolidin-2-ylmethyl)naphthalene-2-carboxamide;hydrochloride
PubChem CID119514272
Molecular FormulaC16H19ClN2O
Molecular Weight290.79 g/mol
Exact Mass290.12
IUPAC NameN-(pyrrolidin-2-ylmethyl)naphthalene-2-carboxamide;hydrochloride
SMILESCl.O=C(NCC1CCCN1)c1ccc2ccccc2c1
InChIInChI=1S/C16H18N2O.ClH/c19-16(18-11-15-6-3-9-17-15)14-8-7-12-4-1-2-5-13(12)10-14;/h1-2,4-5,7-8,10,15,17H,3,6,9,11H2,(H,18,19);1H
InChIKeyHDWICEBNZDOYOO-UHFFFAOYSA-N
XLogP2.74
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.79
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-[(2R)-pyrrolidin-2-yl]ethyl]naphthalene-2-carboxamide
CID 104971760
N-(piperidin-2-ylmethyl)-1H-indazole-6-carboxamide
CID 62905604
4-benzamido-N-(pyrrolidin-2-ylmethyl)benzamide
CID 119513146
3-chloro-4-hydroxy-N-(pyrrolidin-2-ylmethyl)benzamide
CID 62539853
N-(pyrrolidin-2-ylmethyl)-1H-pyrrole-3-carboxamide
CID 83619395
3-chloro-4-iodo-N-(pyrrolidin-2-ylmethyl)benzamide
CID 103806363
1-hydroxy-N-(piperidin-2-ylmethyl)naphthalene-2-carboxamide
CID 43185174
3-ethoxy-N-(pyrrolidin-2-ylmethyl)benzamide
CID 119513246
3-methoxy-4-methyl-N-(pyrrolidin-2-ylmethyl)benzamide;hydrochloride
CID 119509893
3-(4-fluorophenyl)-N-[[(2S)-pyrrolidin-2-yl]methyl]benzamide;hydrochloride
CID 154911098
3-ethoxy-4-(2-phenoxyethoxy)-N-(pyrrolidin-2-ylmethyl)benzamide;hydrochloride
CID 119514257
N-(pyrrolidin-3-ylmethyl)naphthalene-2-carboxamide
CID 80564611

Frequently Asked Questions

What is the IUPAC name of N-(pyrrolidin-2-ylmethyl)naphthalene-2-carboxamide;hydrochloride?
The IUPAC name of N-(pyrrolidin-2-ylmethyl)naphthalene-2-carboxamide;hydrochloride (CID 119514272) is N-(pyrrolidin-2-ylmethyl)naphthalene-2-carboxamide;hydrochloride.
What is the SMILES notation for N-(pyrrolidin-2-ylmethyl)naphthalene-2-carboxamide;hydrochloride?
The canonical SMILES for N-(pyrrolidin-2-ylmethyl)naphthalene-2-carboxamide;hydrochloride is Cl.O=C(NCC1CCCN1)c1ccc2ccccc2c1.
What is the InChIKey of N-(pyrrolidin-2-ylmethyl)naphthalene-2-carboxamide;hydrochloride?
The InChIKey is HDWICEBNZDOYOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O.ClH/c19-16(18-11-15-6-3-9-17-15)14-8-7-12-4-1-2-5-13(12)10-14;/h1-2,4-5,7-8,10,15,17H,3,6,9,11H2,(H,18,19);1H.
What are the key properties of N-(pyrrolidin-2-ylmethyl)naphthalene-2-carboxamide;hydrochloride?
N-(pyrrolidin-2-ylmethyl)naphthalene-2-carboxamide;hydrochloride has a molecular weight of 290.79 g/mol, XLogP of 2.74, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(pyrrolidin-2-ylmethyl)naphthalene-2-carboxamide;hydrochloride is sourced from PubChem (CID 119514272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).