N-[4-(dimethylamino)phenyl]naphthalene-2-carboximidoyl cyanide

C20H17N3 — CID 101125185

IUPACN-[4-(dimethylamino)phenyl]naphthalene-2-carboximidoyl cyanide
SMILESCN(C)c1ccc(/N=C(\C#N)c2ccc3ccccc3c2)cc1
InChIInChI=1S/C20H17N3/c1-23(2)19-11-9-18(10-12-19)22-20(14-21)17-8-7-15-5-3-4-6-16(15)13-17/h3-13H,1-2H3/b22-20+
InChIKeyBAHZABRRGMSGRR-LSDHQDQOSA-N
MW299.38 g/mol
LogP4.55
Rot. Bonds3

About N-[4-(dimethylamino)phenyl]naphthalene-2-carboximidoyl cyanide

N-[4-(dimethylamino)phenyl]naphthalene-2-carboximidoyl cyanide (PubChem CID 101125185) has the molecular formula C20H17N3 and a molecular weight of 299.38 g/mol. Its IUPAC name is N-[4-(dimethylamino)phenyl]naphthalene-2-carboximidoyl cyanide.

Molecular Properties

Compound NameN-[4-(dimethylamino)phenyl]naphthalene-2-carboximidoyl cyanide
PubChem CID101125185
Molecular FormulaC20H17N3
Molecular Weight299.38 g/mol
Exact Mass299.14
IUPAC NameN-[4-(dimethylamino)phenyl]naphthalene-2-carboximidoyl cyanide
SMILESCN(C)c1ccc(/N=C(\C#N)c2ccc3ccccc3c2)cc1
InChIInChI=1S/C20H17N3/c1-23(2)19-11-9-18(10-12-19)22-20(14-21)17-8-7-15-5-3-4-6-16(15)13-17/h3-13H,1-2H3/b22-20+
InChIKeyBAHZABRRGMSGRR-LSDHQDQOSA-N
XLogP4.55
TPSA39.39 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.38
LogP ≤ 54.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

2-chloro-N-[4-(dimethylamino)phenyl]benzenecarboximidoyl cyanide
CID 134101124
3-[4-(dimethylamino)phenyl]-2-naphthalen-2-ylprop-2-enenitrile
CID 3991442
2,2-bis[4-(dimethylamino)phenyl]-1-naphthalen-2-ylethanone
CID 102341898
N-[4-(dimethylamino)phenyl]-2-(4-methoxyphenyl)-2-oxoethanimidoyl cyanide
CID 175672875
acetonitrile;N,N-dimethylaniline;pyrene
CID 160703197
N,N-dimethyl-4-naphthalen-2-ylaniline
CID 46854357
2-(1,3-benzodioxol-5-yl)-N-[4-(dimethylamino)phenyl]-2-oxoethanimidoyl cyanide
CID 134103507
N-methyl-N-naphthalen-2-ylnaphthalene-2-carboxamide
CID 26904267
N-cyano-N-propylnaphthalene-2-carboxamide
CID 135042009
[methyl(naphthalene-2-carbonyl)amino] acetate
CID 59280990
2-amino-N-[4-(dimethylamino)phenyl]-2-oxoethanimidoyl cyanide
CID 15500431
2-anilino-N-[4-(dimethylamino)phenyl]-2-oxoethanimidoyl cyanide
CID 15500432

Frequently Asked Questions

What is the IUPAC name of N-[4-(dimethylamino)phenyl]naphthalene-2-carboximidoyl cyanide?
The IUPAC name of N-[4-(dimethylamino)phenyl]naphthalene-2-carboximidoyl cyanide (CID 101125185) is N-[4-(dimethylamino)phenyl]naphthalene-2-carboximidoyl cyanide.
What is the SMILES notation for N-[4-(dimethylamino)phenyl]naphthalene-2-carboximidoyl cyanide?
The canonical SMILES for N-[4-(dimethylamino)phenyl]naphthalene-2-carboximidoyl cyanide is CN(C)c1ccc(/N=C(\C#N)c2ccc3ccccc3c2)cc1.
What is the InChIKey of N-[4-(dimethylamino)phenyl]naphthalene-2-carboximidoyl cyanide?
The InChIKey is BAHZABRRGMSGRR-LSDHQDQOSA-N. The full InChI is InChI=1S/C20H17N3/c1-23(2)19-11-9-18(10-12-19)22-20(14-21)17-8-7-15-5-3-4-6-16(15)13-17/h3-13H,1-2H3/b22-20+.
What are the key properties of N-[4-(dimethylamino)phenyl]naphthalene-2-carboximidoyl cyanide?
N-[4-(dimethylamino)phenyl]naphthalene-2-carboximidoyl cyanide has a molecular weight of 299.38 g/mol, XLogP of 4.55, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(dimethylamino)phenyl]naphthalene-2-carboximidoyl cyanide is sourced from PubChem (CID 101125185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).