N-(2-aminopropyl)-4-cyanobenzamide

C11H13N3O — CID 63732512

IUPACN-(2-aminopropyl)-4-cyanobenzamide
SMILESCC(N)CNC(=O)c1ccc(C#N)cc1
InChIInChI=1S/C11H13N3O/c1-8(13)7-14-11(15)10-4-2-9(6-12)3-5-10/h2-5,8H,7,13H2,1H3,(H,14,15)
InChIKeyRBGKTEFCZXEWNS-UHFFFAOYSA-N
MW203.25 g/mol
LogP0.64
Rot. Bonds3

About N-(2-aminopropyl)-4-cyanobenzamide

N-(2-aminopropyl)-4-cyanobenzamide (PubChem CID 63732512) has the molecular formula C11H13N3O and a molecular weight of 203.25 g/mol. Its IUPAC name is N-(2-aminopropyl)-4-cyanobenzamide.

Molecular Properties

Compound NameN-(2-aminopropyl)-4-cyanobenzamide
PubChem CID63732512
Molecular FormulaC11H13N3O
Molecular Weight203.25 g/mol
Exact Mass203.11
IUPAC NameN-(2-aminopropyl)-4-cyanobenzamide
SMILESCC(N)CNC(=O)c1ccc(C#N)cc1
InChIInChI=1S/C11H13N3O/c1-8(13)7-14-11(15)10-4-2-9(6-12)3-5-10/h2-5,8H,7,13H2,1H3,(H,14,15)
InChIKeyRBGKTEFCZXEWNS-UHFFFAOYSA-N
XLogP0.64
TPSA78.91 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.25
LogP ≤ 50.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2S)-2-amino-3-methylbutyl]-4-cyanobenzamide;hydrochloride
CID 69484483
4-amino-N-(2-aminopropyl)benzamide
CID 130891998
4-cyano-N-(2,2-diethoxyethyl)benzamide
CID 78909770
4-cyano-N-(2-pyrrolidin-1-ylpropyl)benzamide
CID 47026894
(3S)-3-[[(4-cyanobenzoyl)amino]methyl]-5-methylhexanoic acid
CID 65492868
4-cyano-N-(5-methylhexyl)benzamide
CID 79003058
N-(2-aminopropyl)-4-butoxybenzamide
CID 63732303
N-[(4-cyanophenyl)methyl]-4-propan-2-ylbenzamide
CID 46591553
4-cyano-N-(2-propoxybutyl)benzamide
CID 142176975
4-cyano-N-[2-(4-cyanophenyl)-2-oxoethyl]benzamide
CID 10859192
4-cyano-N-[6-[(4-cyanobenzoyl)amino]hexyl]benzamide
CID 137466862
4-cyano-N-[2-(diethylamino)-2-phenylethyl]benzamide
CID 46654174

Frequently Asked Questions

What is the IUPAC name of N-(2-aminopropyl)-4-cyanobenzamide?
The IUPAC name of N-(2-aminopropyl)-4-cyanobenzamide (CID 63732512) is N-(2-aminopropyl)-4-cyanobenzamide.
What is the SMILES notation for N-(2-aminopropyl)-4-cyanobenzamide?
The canonical SMILES for N-(2-aminopropyl)-4-cyanobenzamide is CC(N)CNC(=O)c1ccc(C#N)cc1.
What is the InChIKey of N-(2-aminopropyl)-4-cyanobenzamide?
The InChIKey is RBGKTEFCZXEWNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O/c1-8(13)7-14-11(15)10-4-2-9(6-12)3-5-10/h2-5,8H,7,13H2,1H3,(H,14,15).
What are the key properties of N-(2-aminopropyl)-4-cyanobenzamide?
N-(2-aminopropyl)-4-cyanobenzamide has a molecular weight of 203.25 g/mol, XLogP of 0.64, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminopropyl)-4-cyanobenzamide is sourced from PubChem (CID 63732512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).