(1'R,4S)-N-methyl-N-pyridin-2-ylspiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-carboxamide

C19H20N2O — CID 97061520

IUPAC(1'R,4S)-N-methyl-N-pyridin-2-ylspiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-carboxamide
SMILESCN(C(=O)[C@@H]1C[C@@]12CCCc1ccccc12)c1ccccn1
InChIInChI=1S/C19H20N2O/c1-21(17-10-4-5-12-20-17)18(22)16-13-19(16)11-6-8-14-7-2-3-9-15(14)19/h2-5,7,9-10,12,16H,6,8,11,13H2,1H3/t16-,19+/m0/s1
InChIKeyNCJQBLLFDNOXSV-QFBILLFUSA-N
MW292.38 g/mol
LogP3.34
Rot. Bonds2

About (1'R,4S)-N-methyl-N-pyridin-2-ylspiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-carboxamide

(1'R,4S)-N-methyl-N-pyridin-2-ylspiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-carboxamide (PubChem CID 97061520) has the molecular formula C19H20N2O and a molecular weight of 292.38 g/mol. Its IUPAC name is (1'R,4S)-N-methyl-N-pyridin-2-ylspiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-carboxamide.

Molecular Properties

Compound Name(1'R,4S)-N-methyl-N-pyridin-2-ylspiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-carboxamide
PubChem CID97061520
Molecular FormulaC19H20N2O
Molecular Weight292.38 g/mol
Exact Mass292.16
IUPAC Name(1'R,4S)-N-methyl-N-pyridin-2-ylspiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-carboxamide
SMILESCN(C(=O)[C@@H]1C[C@@]12CCCc1ccccc12)c1ccccn1
InChIInChI=1S/C19H20N2O/c1-21(17-10-4-5-12-20-17)18(22)16-13-19(16)11-6-8-14-7-2-3-9-15(14)19/h2-5,7,9-10,12,16H,6,8,11,13H2,1H3/t16-,19+/m0/s1
InChIKeyNCJQBLLFDNOXSV-QFBILLFUSA-N
XLogP3.34
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(1'R,4S)-spiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-carboxylic acid
CID 94419963
2-[methyl(spiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-carbonyl)amino]propanoic acid
CID 119359115
(1'R,4R)-spiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-carboxamide
CID 97219151
(1'S,4R)-N-methylspiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-carboxamide
CID 97218615
(2-hydroxyphenyl)-[(1'S,4S)-spiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-yl]methanone
CID 139114969
2-[2-methoxyethyl(spiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-carbonyl)amino]acetic acid
CID 119348210
(1'S,4R)-N-(2,2-difluoroethyl)-N-propylspiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-carboxamide
CID 95782962
N-methyl-4-oxo-N-pyridin-2-ylcyclohexane-1-carboxamide
CID 115150404
(1'S,4S)-N-[4-[methoxy(methyl)carbamoyl]phenyl]spiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-carboxamide
CID 99812632
(3S,4S)-4-methyl-1-(spiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-carbonyl)pyrrolidine-3-carboxylic acid
CID 120952047
2'-(bromomethyl)spiro[2,3-dihydro-1H-naphthalene-4,1'-cyclopropane]
CID 81351640
(1'S,4S)-N-(5-methoxy-1,3-dimethylpyrazol-4-yl)spiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-carboxamide
CID 97065291

Frequently Asked Questions

What is the IUPAC name of (1'R,4S)-N-methyl-N-pyridin-2-ylspiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-carboxamide?
The IUPAC name of (1'R,4S)-N-methyl-N-pyridin-2-ylspiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-carboxamide (CID 97061520) is (1'R,4S)-N-methyl-N-pyridin-2-ylspiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-carboxamide.
What is the SMILES notation for (1'R,4S)-N-methyl-N-pyridin-2-ylspiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-carboxamide?
The canonical SMILES for (1'R,4S)-N-methyl-N-pyridin-2-ylspiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-carboxamide is CN(C(=O)[C@@H]1C[C@@]12CCCc1ccccc12)c1ccccn1.
What is the InChIKey of (1'R,4S)-N-methyl-N-pyridin-2-ylspiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-carboxamide?
The InChIKey is NCJQBLLFDNOXSV-QFBILLFUSA-N. The full InChI is InChI=1S/C19H20N2O/c1-21(17-10-4-5-12-20-17)18(22)16-13-19(16)11-6-8-14-7-2-3-9-15(14)19/h2-5,7,9-10,12,16H,6,8,11,13H2,1H3/t16-,19+/m0/s1.
What are the key properties of (1'R,4S)-N-methyl-N-pyridin-2-ylspiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-carboxamide?
(1'R,4S)-N-methyl-N-pyridin-2-ylspiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-carboxamide has a molecular weight of 292.38 g/mol, XLogP of 3.34, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1'R,4S)-N-methyl-N-pyridin-2-ylspiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-carboxamide is sourced from PubChem (CID 97061520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).