1-methyl-N-pyrrolidin-3-yl-3,4-dihydro-2H-naphthalene-1-carboxamide

C16H22N2O — CID 119449830

IUPAC1-methyl-N-pyrrolidin-3-yl-3,4-dihydro-2H-naphthalene-1-carboxamide
SMILESCC1(C(=O)NC2CCNC2)CCCc2ccccc21
InChIInChI=1S/C16H22N2O/c1-16(15(19)18-13-8-10-17-11-13)9-4-6-12-5-2-3-7-14(12)16/h2-3,5,7,13,17H,4,6,8-11H2,1H3,(H,18,19)
InChIKeyWFZLTKMWCULCBF-UHFFFAOYSA-N
MW258.36 g/mol
LogP1.76
Rot. Bonds2

About 1-methyl-N-pyrrolidin-3-yl-3,4-dihydro-2H-naphthalene-1-carboxamide

1-methyl-N-pyrrolidin-3-yl-3,4-dihydro-2H-naphthalene-1-carboxamide (PubChem CID 119449830) has the molecular formula C16H22N2O and a molecular weight of 258.36 g/mol. Its IUPAC name is 1-methyl-N-pyrrolidin-3-yl-3,4-dihydro-2H-naphthalene-1-carboxamide.

Molecular Properties

Compound Name1-methyl-N-pyrrolidin-3-yl-3,4-dihydro-2H-naphthalene-1-carboxamide
PubChem CID119449830
Molecular FormulaC16H22N2O
Molecular Weight258.36 g/mol
Exact Mass258.17
IUPAC Name1-methyl-N-pyrrolidin-3-yl-3,4-dihydro-2H-naphthalene-1-carboxamide
SMILESCC1(C(=O)NC2CCNC2)CCCc2ccccc21
InChIInChI=1S/C16H22N2O/c1-16(15(19)18-13-8-10-17-11-13)9-4-6-12-5-2-3-7-14(12)16/h2-3,5,7,13,17H,4,6,8-11H2,1H3,(H,18,19)
InChIKeyWFZLTKMWCULCBF-UHFFFAOYSA-N
XLogP1.76
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.36
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-methyl-N-(3-methylpiperidin-4-yl)-3,4-dihydro-2H-naphthalene-1-carboxamide
CID 120557540
[(3aS,6aR)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-(1-methyl-3,4-dihydro-2H-naphthalen-1-yl)methanone
CID 120657959
N-piperidin-3-ylspiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-carboxamide;hydrochloride
CID 119427333
(4-hydroxypiperidin-1-yl)-(1-methyl-3,4-dihydro-2H-naphthalen-1-yl)methanone
CID 110921317
N-[3-[[(2-chloroacetyl)amino]methyl]-3-phenylcyclobutyl]-1-methyl-3,4-dihydro-2H-naphthalene-1-carboxamide
CID 154875797
N-(7-ethyl-2-bicyclo[3.3.1]nonanyl)-1-methyl-3,4-dihydro-2H-naphthalene-1-carboxamide
CID 122691815
N-piperidin-3-ylspiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-carboxamide
CID 119426712
1-[(1S)-1-methyl-3,4-dihydro-2H-naphthalene-1-carbonyl]piperidine-4-carboxylic acid
CID 124698143
[4-(cyclopropylmethylamino)piperidin-1-yl]-(1-methyl-3,4-dihydro-2H-naphthalen-1-yl)methanone
CID 119621878
1-methyl-N-[3-(methylamino)propyl]-3,4-dihydro-2H-naphthalene-1-carboxamide
CID 119429829
(1R)-N-hydroxy-1-methyl-2,3-dihydroindene-1-carboxamide
CID 129027598
1-methyl-N-[(3S)-pyrrolidin-3-yl]cyclobutane-1-carboxamide
CID 166176322

Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-pyrrolidin-3-yl-3,4-dihydro-2H-naphthalene-1-carboxamide?
The IUPAC name of 1-methyl-N-pyrrolidin-3-yl-3,4-dihydro-2H-naphthalene-1-carboxamide (CID 119449830) is 1-methyl-N-pyrrolidin-3-yl-3,4-dihydro-2H-naphthalene-1-carboxamide.
What is the SMILES notation for 1-methyl-N-pyrrolidin-3-yl-3,4-dihydro-2H-naphthalene-1-carboxamide?
The canonical SMILES for 1-methyl-N-pyrrolidin-3-yl-3,4-dihydro-2H-naphthalene-1-carboxamide is CC1(C(=O)NC2CCNC2)CCCc2ccccc21.
What is the InChIKey of 1-methyl-N-pyrrolidin-3-yl-3,4-dihydro-2H-naphthalene-1-carboxamide?
The InChIKey is WFZLTKMWCULCBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O/c1-16(15(19)18-13-8-10-17-11-13)9-4-6-12-5-2-3-7-14(12)16/h2-3,5,7,13,17H,4,6,8-11H2,1H3,(H,18,19).
What are the key properties of 1-methyl-N-pyrrolidin-3-yl-3,4-dihydro-2H-naphthalene-1-carboxamide?
1-methyl-N-pyrrolidin-3-yl-3,4-dihydro-2H-naphthalene-1-carboxamide has a molecular weight of 258.36 g/mol, XLogP of 1.76, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-pyrrolidin-3-yl-3,4-dihydro-2H-naphthalene-1-carboxamide is sourced from PubChem (CID 119449830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).