benzyl N-[1-[2-[(4-cyanophenyl)methylamino]-2-oxoethyl]-2-oxo-3-pyridinyl]carbamate

C23H20N4O4 — CID 139925093

IUPACbenzyl N-[1-[2-[(4-cyanophenyl)methylamino]-2-oxoethyl]-2-oxo-3-pyridinyl]carbamate
SMILESN#Cc1ccc(CNC(=O)Cn2cccc(NC(=O)OCc3ccccc3)c2=O)cc1
InChIInChI=1S/C23H20N4O4/c24-13-17-8-10-18(11-9-17)14-25-21(28)15-27-12-4-7-20(22(27)29)26-23(30)31-16-19-5-2-1-3-6-19/h1-12H,14-16H2,(H,25,28)(H,26,30)
InChIKeyJHHXPHYDKSSEKT-UHFFFAOYSA-N
MW416.44 g/mol
LogP2.79
Rot. Bonds7

About benzyl N-[1-[2-[(4-cyanophenyl)methylamino]-2-oxoethyl]-2-oxo-3-pyridinyl]carbamate

benzyl N-[1-[2-[(4-cyanophenyl)methylamino]-2-oxoethyl]-2-oxo-3-pyridinyl]carbamate (PubChem CID 139925093) has the molecular formula C23H20N4O4 and a molecular weight of 416.44 g/mol. Its IUPAC name is benzyl N-[1-[2-[(4-cyanophenyl)methylamino]-2-oxoethyl]-2-oxo-3-pyridinyl]carbamate.

Molecular Properties

Compound Namebenzyl N-[1-[2-[(4-cyanophenyl)methylamino]-2-oxoethyl]-2-oxo-3-pyridinyl]carbamate
PubChem CID139925093
Molecular FormulaC23H20N4O4
Molecular Weight416.44 g/mol
Exact Mass416.15
IUPAC Namebenzyl N-[1-[2-[(4-cyanophenyl)methylamino]-2-oxoethyl]-2-oxo-3-pyridinyl]carbamate
SMILESN#Cc1ccc(CNC(=O)Cn2cccc(NC(=O)OCc3ccccc3)c2=O)cc1
InChIInChI=1S/C23H20N4O4/c24-13-17-8-10-18(11-9-17)14-25-21(28)15-27-12-4-7-20(22(27)29)26-23(30)31-16-19-5-2-1-3-6-19/h1-12H,14-16H2,(H,25,28)(H,26,30)
InChIKeyJHHXPHYDKSSEKT-UHFFFAOYSA-N
XLogP2.79
TPSA113.22 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.44
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

benzyl N-(4-cyanophenyl)carbamate
CID 4935649
N-[(4-cyanophenyl)methyl]-2-phenylmethoxyacetamide
CID 134035388
benzyl N-[1-[2-[[(E,4S)-7-amino-7-oxohept-2-en-4-yl]amino]-2-oxoethyl]-2-oxo-3-pyridinyl]carbamate
CID 59038132
benzyl N-[1-[2-[[3-dimethylsilyloxy-2,5,5-trimethyl-4-(trifluoromethyl)hexan-3-yl]amino]-2-oxoethyl]-2-oxo-3-pyridinyl]carbamate
CID 173250177
2-[2-oxo-3-(phenylmethoxycarbonylamino)-1-pyridinyl]propanoic acid
CID 66854688
2-[(4-cyanophenyl)methylsulfanyl]-N-[[4-(phenylmethoxymethyl)phenyl]methyl]acetamide
CID 55766106
N-benzyl-2-(4-cyano-N-methylanilino)acetamide
CID 62982094
N-benzyl-2-[7-[2-[(4-cyanophenyl)methylamino]-2-oxoethyl]-9-oxa-3,7-diazabicyclo[3.3.1]nonan-3-yl]acetamide
CID 69401621
2-amino-N-[(4-cyanophenyl)methyl]acetamide
CID 60919000
N-benzyl-2-[4-(4-cyanophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
CID 51138694
benzyl N-[2-(2-aminonaphthalen-1-yl)-5-cyanophenyl]carbamate
CID 53343891
N-[(4-cyanophenyl)methyl]-3-oxo-3-phenylpropanamide
CID 110473207

Frequently Asked Questions

What is the IUPAC name of benzyl N-[1-[2-[(4-cyanophenyl)methylamino]-2-oxoethyl]-2-oxo-3-pyridinyl]carbamate?
The IUPAC name of benzyl N-[1-[2-[(4-cyanophenyl)methylamino]-2-oxoethyl]-2-oxo-3-pyridinyl]carbamate (CID 139925093) is benzyl N-[1-[2-[(4-cyanophenyl)methylamino]-2-oxoethyl]-2-oxo-3-pyridinyl]carbamate.
What is the SMILES notation for benzyl N-[1-[2-[(4-cyanophenyl)methylamino]-2-oxoethyl]-2-oxo-3-pyridinyl]carbamate?
The canonical SMILES for benzyl N-[1-[2-[(4-cyanophenyl)methylamino]-2-oxoethyl]-2-oxo-3-pyridinyl]carbamate is N#Cc1ccc(CNC(=O)Cn2cccc(NC(=O)OCc3ccccc3)c2=O)cc1.
What is the InChIKey of benzyl N-[1-[2-[(4-cyanophenyl)methylamino]-2-oxoethyl]-2-oxo-3-pyridinyl]carbamate?
The InChIKey is JHHXPHYDKSSEKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N4O4/c24-13-17-8-10-18(11-9-17)14-25-21(28)15-27-12-4-7-20(22(27)29)26-23(30)31-16-19-5-2-1-3-6-19/h1-12H,14-16H2,(H,25,28)(H,26,30).
What are the key properties of benzyl N-[1-[2-[(4-cyanophenyl)methylamino]-2-oxoethyl]-2-oxo-3-pyridinyl]carbamate?
benzyl N-[1-[2-[(4-cyanophenyl)methylamino]-2-oxoethyl]-2-oxo-3-pyridinyl]carbamate has a molecular weight of 416.44 g/mol, XLogP of 2.79, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-[1-[2-[(4-cyanophenyl)methylamino]-2-oxoethyl]-2-oxo-3-pyridinyl]carbamate is sourced from PubChem (CID 139925093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).