N-cyano-N-propylnaphthalene-2-carboxamide

C15H14N2O — CID 135042009

IUPACN-cyano-N-propylnaphthalene-2-carboxamide
SMILESCCCN(C#N)C(=O)c1ccc2ccccc2c1
InChIInChI=1S/C15H14N2O/c1-2-9-17(11-16)15(18)14-8-7-12-5-3-4-6-13(12)10-14/h3-8,10H,2,9H2,1H3
InChIKeyARRBONOCRVMVIC-UHFFFAOYSA-N
MW238.29 g/mol
LogP3.17
Rot. Bonds3

About N-cyano-N-propylnaphthalene-2-carboxamide

N-cyano-N-propylnaphthalene-2-carboxamide (PubChem CID 135042009) has the molecular formula C15H14N2O and a molecular weight of 238.29 g/mol. Its IUPAC name is N-cyano-N-propylnaphthalene-2-carboxamide.

Molecular Properties

Compound NameN-cyano-N-propylnaphthalene-2-carboxamide
PubChem CID135042009
Molecular FormulaC15H14N2O
Molecular Weight238.29 g/mol
Exact Mass238.11
IUPAC NameN-cyano-N-propylnaphthalene-2-carboxamide
SMILESCCCN(C#N)C(=O)c1ccc2ccccc2c1
InChIInChI=1S/C15H14N2O/c1-2-9-17(11-16)15(18)14-8-7-12-5-3-4-6-13(12)10-14/h3-8,10H,2,9H2,1H3
InChIKeyARRBONOCRVMVIC-UHFFFAOYSA-N
XLogP3.17
TPSA44.10 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyanate_/aminonitrile_/thiocyanate', 'substructure': 'N/A'}, {'alert_name': 'enamine', 'substructure': 'N/A'}

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Related Compounds

N,N-dibutylnaphthalene-2-carboxamide
CID 154151885
N-(2-hydroxyethyl)-N-methylnaphthalene-2-carboxamide
CID 39949841
N-(2-cyanopropyl)-N-methylnaphthalene-2-carboxamide
CID 47205391
N-propylnaphthalene-2-carboxamide
CID 6624536
N-methyl-N-naphthalen-2-ylnaphthalene-2-carboxamide
CID 26904267
N,N-diethylphenanthrene-2-carboxamide
CID 15466572
ethane;naphthalene-2-carboxylic acid;propane
CID 143443534
N-tert-butyl-N-methylnaphthalene-2-carboxamide
CID 90337297
propanoyl naphthalene-2-carboxylate
CID 118192395
(E)-1-naphthalen-2-ylhex-2-en-1-one
CID 22625485
6-ethyl-N,N-dipropylnaphthalene-2-carboxamide
CID 153338338
N-ethyl-N-[2-(ethylamino)-2-oxoethyl]naphthalene-2-carboxamide
CID 34797434

Frequently Asked Questions

What is the IUPAC name of N-cyano-N-propylnaphthalene-2-carboxamide?
The IUPAC name of N-cyano-N-propylnaphthalene-2-carboxamide (CID 135042009) is N-cyano-N-propylnaphthalene-2-carboxamide.
What is the SMILES notation for N-cyano-N-propylnaphthalene-2-carboxamide?
The canonical SMILES for N-cyano-N-propylnaphthalene-2-carboxamide is CCCN(C#N)C(=O)c1ccc2ccccc2c1.
What is the InChIKey of N-cyano-N-propylnaphthalene-2-carboxamide?
The InChIKey is ARRBONOCRVMVIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O/c1-2-9-17(11-16)15(18)14-8-7-12-5-3-4-6-13(12)10-14/h3-8,10H,2,9H2,1H3.
What are the key properties of N-cyano-N-propylnaphthalene-2-carboxamide?
N-cyano-N-propylnaphthalene-2-carboxamide has a molecular weight of 238.29 g/mol, XLogP of 3.17, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyano-N-propylnaphthalene-2-carboxamide is sourced from PubChem (CID 135042009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).