1-cyano-N-methyl-N-naphthalen-2-ylcyclopropane-1-carboxamide

C16H14N2O — CID 115181540

IUPAC1-cyano-N-methyl-N-naphthalen-2-ylcyclopropane-1-carboxamide
SMILESCN(C(=O)C1(C#N)CC1)c1ccc2ccccc2c1
InChIInChI=1S/C16H14N2O/c1-18(15(19)16(11-17)8-9-16)14-7-6-12-4-2-3-5-13(12)10-14/h2-7,10H,8-9H2,1H3
InChIKeyRECUSUVLFMIWPR-UHFFFAOYSA-N
MW250.30 g/mol
LogP3.11
Rot. Bonds2

About 1-cyano-N-methyl-N-naphthalen-2-ylcyclopropane-1-carboxamide

1-cyano-N-methyl-N-naphthalen-2-ylcyclopropane-1-carboxamide (PubChem CID 115181540) has the molecular formula C16H14N2O and a molecular weight of 250.30 g/mol. Its IUPAC name is 1-cyano-N-methyl-N-naphthalen-2-ylcyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-cyano-N-methyl-N-naphthalen-2-ylcyclopropane-1-carboxamide
PubChem CID115181540
Molecular FormulaC16H14N2O
Molecular Weight250.30 g/mol
Exact Mass250.11
IUPAC Name1-cyano-N-methyl-N-naphthalen-2-ylcyclopropane-1-carboxamide
SMILESCN(C(=O)C1(C#N)CC1)c1ccc2ccccc2c1
InChIInChI=1S/C16H14N2O/c1-18(15(19)16(11-17)8-9-16)14-7-6-12-4-2-3-5-13(12)10-14/h2-7,10H,8-9H2,1H3
InChIKeyRECUSUVLFMIWPR-UHFFFAOYSA-N
XLogP3.11
TPSA44.10 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3-bromophenyl)-1-cyano-N-methylcyclobutane-1-carboxamide
CID 115183289
N-methyl-N-naphthalen-2-ylnaphthalene-2-carboxamide
CID 26904267
N-(3-bromo-4-methoxyphenyl)-1-cyano-N-methylcyclobutane-1-carboxamide
CID 115183261
1-(aminomethyl)-N-methyl-N-(6-methylnaphthalen-2-yl)cyclopropane-1-carboxamide
CID 115182653
2-(cyclopropylamino)-N-methyl-N-naphthalen-2-ylacetamide
CID 115158419
3-cyano-N-methyl-N-(4-propan-2-ylphenyl)oxetane-3-carboxamide
CID 115184624
1-cyano-N-(2-methoxyphenyl)-N-methylcyclohexane-1-carboxamide
CID 61461787
3-cyano-N-(3-fluoro-4-methoxyphenyl)-N-methyloxetane-3-carboxamide
CID 115184634
N,5-dimethyl-N-naphthalen-2-yl-1-phenylpyrazole-3-carboxamide
CID 55757695
N-[1-(2-chlorophenyl)ethyl]-1-cyano-N-methylcyclopropane-1-carboxamide
CID 80592129
N,5-dimethyl-N-naphthalen-2-ylthiophene-2-carboxamide
CID 51146862
4-[methyl(naphthalene-2-carbonyl)amino]benzoic acid
CID 44726898

Frequently Asked Questions

What is the IUPAC name of 1-cyano-N-methyl-N-naphthalen-2-ylcyclopropane-1-carboxamide?
The IUPAC name of 1-cyano-N-methyl-N-naphthalen-2-ylcyclopropane-1-carboxamide (CID 115181540) is 1-cyano-N-methyl-N-naphthalen-2-ylcyclopropane-1-carboxamide.
What is the SMILES notation for 1-cyano-N-methyl-N-naphthalen-2-ylcyclopropane-1-carboxamide?
The canonical SMILES for 1-cyano-N-methyl-N-naphthalen-2-ylcyclopropane-1-carboxamide is CN(C(=O)C1(C#N)CC1)c1ccc2ccccc2c1.
What is the InChIKey of 1-cyano-N-methyl-N-naphthalen-2-ylcyclopropane-1-carboxamide?
The InChIKey is RECUSUVLFMIWPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O/c1-18(15(19)16(11-17)8-9-16)14-7-6-12-4-2-3-5-13(12)10-14/h2-7,10H,8-9H2,1H3.
What are the key properties of 1-cyano-N-methyl-N-naphthalen-2-ylcyclopropane-1-carboxamide?
1-cyano-N-methyl-N-naphthalen-2-ylcyclopropane-1-carboxamide has a molecular weight of 250.30 g/mol, XLogP of 3.11, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyano-N-methyl-N-naphthalen-2-ylcyclopropane-1-carboxamide is sourced from PubChem (CID 115181540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).