N-[3-[(4-cyanophenyl)methylamino]-3-oxopropyl]naphthalene-2-carboxamide

C22H19N3O2 — CID 46481818

IUPACN-[3-[(4-cyanophenyl)methylamino]-3-oxopropyl]naphthalene-2-carboxamide
SMILESN#Cc1ccc(CNC(=O)CCNC(=O)c2ccc3ccccc3c2)cc1
InChIInChI=1S/C22H19N3O2/c23-14-16-5-7-17(8-6-16)15-25-21(26)11-12-24-22(27)20-10-9-18-3-1-2-4-19(18)13-20/h1-10,13H,11-12,15H2,(H,24,27)(H,25,26)
InChIKeyRJIYZIRWFJGAQD-UHFFFAOYSA-N
MW357.41 g/mol
LogP3.15
Rot. Bonds6

About N-[3-[(4-cyanophenyl)methylamino]-3-oxopropyl]naphthalene-2-carboxamide

N-[3-[(4-cyanophenyl)methylamino]-3-oxopropyl]naphthalene-2-carboxamide (PubChem CID 46481818) has the molecular formula C22H19N3O2 and a molecular weight of 357.41 g/mol. Its IUPAC name is N-[3-[(4-cyanophenyl)methylamino]-3-oxopropyl]naphthalene-2-carboxamide.

Molecular Properties

Compound NameN-[3-[(4-cyanophenyl)methylamino]-3-oxopropyl]naphthalene-2-carboxamide
PubChem CID46481818
Molecular FormulaC22H19N3O2
Molecular Weight357.41 g/mol
Exact Mass357.15
IUPAC NameN-[3-[(4-cyanophenyl)methylamino]-3-oxopropyl]naphthalene-2-carboxamide
SMILESN#Cc1ccc(CNC(=O)CCNC(=O)c2ccc3ccccc3c2)cc1
InChIInChI=1S/C22H19N3O2/c23-14-16-5-7-17(8-6-16)15-25-21(26)11-12-24-22(27)20-10-9-18-3-1-2-4-19(18)13-20/h1-10,13H,11-12,15H2,(H,24,27)(H,25,26)
InChIKeyRJIYZIRWFJGAQD-UHFFFAOYSA-N
XLogP3.15
TPSA81.99 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.41
LogP ≤ 53.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-[[4-(4-methylpiperazine-1-carbonyl)phenyl]methylamino]-3-oxopropyl]naphthalene-2-carboxamide
CID 55725492
N-[3-[[4-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methylamino]-3-oxopropyl]naphthalene-2-carboxamide
CID 56555081
N-[3-(2-aminoethylamino)-3-oxopropyl]naphthalene-2-carboxamide
CID 119384874
N-[3-(methylamino)-3-oxopropyl]naphthalene-2-carboxamide
CID 47161001
N-benzyl-4-cyano(111C)cyclohexa-1,3,5-triene-1-carboxamide
CID 177456736
N-[(4-methoxyphenyl)methyl]naphthalene-2-carboxamide
CID 883831
N-[(4-cyanophenyl)methyl]-4-methyl-3-phenylbenzamide
CID 123481458
N-[4-(naphthalene-2-carbonylamino)butyl]naphthalene-2-carboxamide
CID 101181857
N-[3-[2-(2-fluorophenyl)ethylamino]-3-oxopropyl]naphthalene-2-carboxamide
CID 55568477
3-hydroxy-N-(naphthalen-2-ylmethyl)propanamide
CID 115139108
N-(2-hydroxyethyl)naphthalene-2-carboxamide
CID 13288324
N-[(4-cyanophenyl)methyl]-3-oxo-3-phenylpropanamide
CID 110473207

Frequently Asked Questions

What is the IUPAC name of N-[3-[(4-cyanophenyl)methylamino]-3-oxopropyl]naphthalene-2-carboxamide?
The IUPAC name of N-[3-[(4-cyanophenyl)methylamino]-3-oxopropyl]naphthalene-2-carboxamide (CID 46481818) is N-[3-[(4-cyanophenyl)methylamino]-3-oxopropyl]naphthalene-2-carboxamide.
What is the SMILES notation for N-[3-[(4-cyanophenyl)methylamino]-3-oxopropyl]naphthalene-2-carboxamide?
The canonical SMILES for N-[3-[(4-cyanophenyl)methylamino]-3-oxopropyl]naphthalene-2-carboxamide is N#Cc1ccc(CNC(=O)CCNC(=O)c2ccc3ccccc3c2)cc1.
What is the InChIKey of N-[3-[(4-cyanophenyl)methylamino]-3-oxopropyl]naphthalene-2-carboxamide?
The InChIKey is RJIYZIRWFJGAQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N3O2/c23-14-16-5-7-17(8-6-16)15-25-21(26)11-12-24-22(27)20-10-9-18-3-1-2-4-19(18)13-20/h1-10,13H,11-12,15H2,(H,24,27)(H,25,26).
What are the key properties of N-[3-[(4-cyanophenyl)methylamino]-3-oxopropyl]naphthalene-2-carboxamide?
N-[3-[(4-cyanophenyl)methylamino]-3-oxopropyl]naphthalene-2-carboxamide has a molecular weight of 357.41 g/mol, XLogP of 3.15, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(4-cyanophenyl)methylamino]-3-oxopropyl]naphthalene-2-carboxamide is sourced from PubChem (CID 46481818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).