6-[1-amino-3-(methylamino)-2-oxopropyl]-N-[(4-cyanophenyl)methyl]naphthalene-1-carboxamide

C23H22N4O2 — CID 151240345

IUPAC6-[1-amino-3-(methylamino)-2-oxopropyl]-N-[(4-cyanophenyl)methyl]naphthalene-1-carboxamide
SMILESCNCC(=O)C(N)c1ccc2c(C(=O)NCc3ccc(C#N)cc3)cccc2c1
InChIInChI=1S/C23H22N4O2/c1-26-14-21(28)22(25)18-9-10-19-17(11-18)3-2-4-20(19)23(29)27-13-16-7-5-15(12-24)6-8-16/h2-11,22,26H,13-14,25H2,1H3,(H,27,29)
InChIKeyJIQJSUWQDRTDHH-UHFFFAOYSA-N
MW386.46 g/mol
LogP2.43
Rot. Bonds7

About 6-[1-amino-3-(methylamino)-2-oxopropyl]-N-[(4-cyanophenyl)methyl]naphthalene-1-carboxamide

6-[1-amino-3-(methylamino)-2-oxopropyl]-N-[(4-cyanophenyl)methyl]naphthalene-1-carboxamide (PubChem CID 151240345) has the molecular formula C23H22N4O2 and a molecular weight of 386.46 g/mol. Its IUPAC name is 6-[1-amino-3-(methylamino)-2-oxopropyl]-N-[(4-cyanophenyl)methyl]naphthalene-1-carboxamide.

Molecular Properties

Compound Name6-[1-amino-3-(methylamino)-2-oxopropyl]-N-[(4-cyanophenyl)methyl]naphthalene-1-carboxamide
PubChem CID151240345
Molecular FormulaC23H22N4O2
Molecular Weight386.46 g/mol
Exact Mass386.17
IUPAC Name6-[1-amino-3-(methylamino)-2-oxopropyl]-N-[(4-cyanophenyl)methyl]naphthalene-1-carboxamide
SMILESCNCC(=O)C(N)c1ccc2c(C(=O)NCc3ccc(C#N)cc3)cccc2c1
InChIInChI=1S/C23H22N4O2/c1-26-14-21(28)22(25)18-9-10-19-17(11-18)3-2-4-20(19)23(29)27-13-16-7-5-15(12-24)6-8-16/h2-11,22,26H,13-14,25H2,1H3,(H,27,29)
InChIKeyJIQJSUWQDRTDHH-UHFFFAOYSA-N
XLogP2.43
TPSA108.01 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.46
LogP ≤ 52.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-[[2-[[5-[(4-cyanophenyl)methylcarbamoyl]naphthalen-2-yl]amino]acetyl]amino]propanoic acid
CID 67613877
6-[(2-chlorophenyl)sulfonylamino]-N-[(4-cyanophenyl)methyl]naphthalene-1-carboxamide
CID 172707485
3-chloro-N-[(4-cyanophenyl)methyl]-2-methylbenzamide
CID 107096765
N-[(4-cyanophenyl)methyl]-4-propan-2-ylbenzamide
CID 46591553
N-[(4-cyanophenyl)methyl]-2-methylpyridine-3-carboxamide
CID 78951088
3-amino-N-[(4-cyanophenyl)methyl]benzamide
CID 54937872
N-[(4-cyanophenyl)methyl]-2,6-dimethylpyridine-3-carboxamide
CID 47283449
N-[(4-cyanophenyl)methyl]-N-methylnaphthalene-1-carboxamide
CID 39858954
N-[(4-cyanophenyl)methyl]-2,5-dimethylfuran-3-carboxamide
CID 47161865
2-amino-N-[(4-cyanophenyl)methyl]acetamide
CID 60919000
N-[[4-[(2-cyanoacetyl)amino]phenyl]methyl]naphthalene-1-carboxamide
CID 108923199
N-[(4-chlorophenyl)methyl]-2-[(4-cyanophenyl)methylsulfanyl]benzamide
CID 26533303

Frequently Asked Questions

What is the IUPAC name of 6-[1-amino-3-(methylamino)-2-oxopropyl]-N-[(4-cyanophenyl)methyl]naphthalene-1-carboxamide?
The IUPAC name of 6-[1-amino-3-(methylamino)-2-oxopropyl]-N-[(4-cyanophenyl)methyl]naphthalene-1-carboxamide (CID 151240345) is 6-[1-amino-3-(methylamino)-2-oxopropyl]-N-[(4-cyanophenyl)methyl]naphthalene-1-carboxamide.
What is the SMILES notation for 6-[1-amino-3-(methylamino)-2-oxopropyl]-N-[(4-cyanophenyl)methyl]naphthalene-1-carboxamide?
The canonical SMILES for 6-[1-amino-3-(methylamino)-2-oxopropyl]-N-[(4-cyanophenyl)methyl]naphthalene-1-carboxamide is CNCC(=O)C(N)c1ccc2c(C(=O)NCc3ccc(C#N)cc3)cccc2c1.
What is the InChIKey of 6-[1-amino-3-(methylamino)-2-oxopropyl]-N-[(4-cyanophenyl)methyl]naphthalene-1-carboxamide?
The InChIKey is JIQJSUWQDRTDHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N4O2/c1-26-14-21(28)22(25)18-9-10-19-17(11-18)3-2-4-20(19)23(29)27-13-16-7-5-15(12-24)6-8-16/h2-11,22,26H,13-14,25H2,1H3,(H,27,29).
What are the key properties of 6-[1-amino-3-(methylamino)-2-oxopropyl]-N-[(4-cyanophenyl)methyl]naphthalene-1-carboxamide?
6-[1-amino-3-(methylamino)-2-oxopropyl]-N-[(4-cyanophenyl)methyl]naphthalene-1-carboxamide has a molecular weight of 386.46 g/mol, XLogP of 2.43, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[1-amino-3-(methylamino)-2-oxopropyl]-N-[(4-cyanophenyl)methyl]naphthalene-1-carboxamide is sourced from PubChem (CID 151240345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).