N-[cyano-[4-(dimethylamino)phenyl]methyl]cyclopropanecarboxamide

C14H17N3O — CID 82117900

IUPACN-[cyano-[4-(dimethylamino)phenyl]methyl]cyclopropanecarboxamide
SMILESCN(C)c1ccc(C(C#N)NC(=O)C2CC2)cc1
InChIInChI=1S/C14H17N3O/c1-17(2)12-7-5-10(6-8-12)13(9-15)16-14(18)11-3-4-11/h5-8,11,13H,3-4H2,1-2H3,(H,16,18)
InChIKeyPXBLAPZLCJDYHC-UHFFFAOYSA-N
MW243.31 g/mol
LogP1.84
Rot. Bonds4

About N-[cyano-[4-(dimethylamino)phenyl]methyl]cyclopropanecarboxamide

N-[cyano-[4-(dimethylamino)phenyl]methyl]cyclopropanecarboxamide (PubChem CID 82117900) has the molecular formula C14H17N3O and a molecular weight of 243.31 g/mol. Its IUPAC name is N-[cyano-[4-(dimethylamino)phenyl]methyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[cyano-[4-(dimethylamino)phenyl]methyl]cyclopropanecarboxamide
PubChem CID82117900
Molecular FormulaC14H17N3O
Molecular Weight243.31 g/mol
Exact Mass243.14
IUPAC NameN-[cyano-[4-(dimethylamino)phenyl]methyl]cyclopropanecarboxamide
SMILESCN(C)c1ccc(C(C#N)NC(=O)C2CC2)cc1
InChIInChI=1S/C14H17N3O/c1-17(2)12-7-5-10(6-8-12)13(9-15)16-14(18)11-3-4-11/h5-8,11,13H,3-4H2,1-2H3,(H,16,18)
InChIKeyPXBLAPZLCJDYHC-UHFFFAOYSA-N
XLogP1.84
TPSA56.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[cyano-[4-(dimethylamino)phenyl]methyl]propanamide
CID 82115840
N-[cyano(phenyl)methyl]-4-methylcyclohexane-1-carboxamide
CID 79005788
N-[cyano(phenyl)methyl]cyclobutanecarboxamide
CID 60699487
N-[cyano(phenyl)methyl]cycloheptanecarboxamide
CID 62586494
2-[2-[[cyano-[4-(dimethylamino)phenyl]methyl]amino]ethylamino]-2-[4-(dimethylamino)phenyl]acetonitrile
CID 4253042
N-[(4-tert-butylphenyl)-cyanomethyl]cyclohex-3-ene-1-carboxamide
CID 136524459
(3R)-N-[(S)-(4-tert-butylphenyl)-cyanomethyl]oxolane-3-carboxamide
CID 95617394
N-[cyano-(2-fluorophenyl)methyl]cyclopropanecarboxamide
CID 82114013
N-[3-[[cyano-[4-(dimethylamino)phenyl]methyl]amino]propyl]acetamide
CID 84817831
N-[(2S)-2-[4-(dimethylamino)phenyl]-2-pyrrolidin-1-ylethyl]cyclopentanecarboxamide
CID 7496289
N-[cyano-(4-methylphenyl)methyl]-3-(dimethylamino)benzamide
CID 110664187
N-[2-[4-(dimethylamino)phenyl]-2-pyrrolidin-1-ylethyl]cyclohexanecarboxamide
CID 43956108

Frequently Asked Questions

What is the IUPAC name of N-[cyano-[4-(dimethylamino)phenyl]methyl]cyclopropanecarboxamide?
The IUPAC name of N-[cyano-[4-(dimethylamino)phenyl]methyl]cyclopropanecarboxamide (CID 82117900) is N-[cyano-[4-(dimethylamino)phenyl]methyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[cyano-[4-(dimethylamino)phenyl]methyl]cyclopropanecarboxamide?
The canonical SMILES for N-[cyano-[4-(dimethylamino)phenyl]methyl]cyclopropanecarboxamide is CN(C)c1ccc(C(C#N)NC(=O)C2CC2)cc1.
What is the InChIKey of N-[cyano-[4-(dimethylamino)phenyl]methyl]cyclopropanecarboxamide?
The InChIKey is PXBLAPZLCJDYHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O/c1-17(2)12-7-5-10(6-8-12)13(9-15)16-14(18)11-3-4-11/h5-8,11,13H,3-4H2,1-2H3,(H,16,18).
What are the key properties of N-[cyano-[4-(dimethylamino)phenyl]methyl]cyclopropanecarboxamide?
N-[cyano-[4-(dimethylamino)phenyl]methyl]cyclopropanecarboxamide has a molecular weight of 243.31 g/mol, XLogP of 1.84, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[cyano-[4-(dimethylamino)phenyl]methyl]cyclopropanecarboxamide is sourced from PubChem (CID 82117900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).