2-[(5-cyano-2-pyridinyl)-methylamino]ethyl N-(3-chlorophenyl)carbamate

C16H15ClN4O2 — CID 2746224

IUPAC2-[(5-cyano-2-pyridinyl)-methylamino]ethyl N-(3-chlorophenyl)carbamate
SMILESCN(CCOC(=O)Nc1cccc(Cl)c1)c1ccc(C#N)cn1
InChIInChI=1S/C16H15ClN4O2/c1-21(15-6-5-12(10-18)11-19-15)7-8-23-16(22)20-14-4-2-3-13(17)9-14/h2-6,9,11H,7-8H2,1H3,(H,20,22)
InChIKeyZHDLJQKKXVMMDP-UHFFFAOYSA-N
MW330.78 g/mol
LogP3.29
Rot. Bonds5

About 2-[(5-cyano-2-pyridinyl)-methylamino]ethyl N-(3-chlorophenyl)carbamate

2-[(5-cyano-2-pyridinyl)-methylamino]ethyl N-(3-chlorophenyl)carbamate (PubChem CID 2746224) has the molecular formula C16H15ClN4O2 and a molecular weight of 330.78 g/mol. Its IUPAC name is 2-[(5-cyano-2-pyridinyl)-methylamino]ethyl N-(3-chlorophenyl)carbamate.

Molecular Properties

Compound Name2-[(5-cyano-2-pyridinyl)-methylamino]ethyl N-(3-chlorophenyl)carbamate
PubChem CID2746224
Molecular FormulaC16H15ClN4O2
Molecular Weight330.78 g/mol
Exact Mass330.09
IUPAC Name2-[(5-cyano-2-pyridinyl)-methylamino]ethyl N-(3-chlorophenyl)carbamate
SMILESCN(CCOC(=O)Nc1cccc(Cl)c1)c1ccc(C#N)cn1
InChIInChI=1S/C16H15ClN4O2/c1-21(15-6-5-12(10-18)11-19-15)7-8-23-16(22)20-14-4-2-3-13(17)9-14/h2-6,9,11H,7-8H2,1H3,(H,20,22)
InChIKeyZHDLJQKKXVMMDP-UHFFFAOYSA-N
XLogP3.29
TPSA78.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.78
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-chlorobutyl N-(3-chlorophenyl)carbamate
CID 112683015
2-(dimethylcarbamoylamino)ethyl N-(3-chlorophenyl)carbamate
CID 71675480
2-(propylamino)ethyl N-(3-chlorophenyl)carbamate
CID 79337718
3-iodoprop-2-ynyl N-(3-chlorophenyl)carbamate
CID 14229860
2-(2-chlorophenoxy)ethyl N-(3-chlorophenyl)carbamate
CID 2244784
methyl N-(3-chlorophenyl)carbamate
CID 16529
6-N-(3-chlorophenyl)-2-N-(4-cyanophenyl)pyridine-2,6-dicarboxamide
CID 109100845
2-(2-chloroethoxy)ethyl N-(3-cyanophenyl)carbamate
CID 103970635
2-(dimethylamino)ethyl N-(3-methylphenyl)carbamate
CID 44722441
N-(3-aminophenyl)-5-cyanopyridine-2-carboxamide
CID 63725037
N-(3-chlorophenyl)-2-(3-cyanophenoxy)acetamide
CID 8933252
6-N-(3-chlorophenyl)-2-N-(3-cyanophenyl)pyridine-2,6-dicarboxamide
CID 109100844

Frequently Asked Questions

What is the IUPAC name of 2-[(5-cyano-2-pyridinyl)-methylamino]ethyl N-(3-chlorophenyl)carbamate?
The IUPAC name of 2-[(5-cyano-2-pyridinyl)-methylamino]ethyl N-(3-chlorophenyl)carbamate (CID 2746224) is 2-[(5-cyano-2-pyridinyl)-methylamino]ethyl N-(3-chlorophenyl)carbamate.
What is the SMILES notation for 2-[(5-cyano-2-pyridinyl)-methylamino]ethyl N-(3-chlorophenyl)carbamate?
The canonical SMILES for 2-[(5-cyano-2-pyridinyl)-methylamino]ethyl N-(3-chlorophenyl)carbamate is CN(CCOC(=O)Nc1cccc(Cl)c1)c1ccc(C#N)cn1.
What is the InChIKey of 2-[(5-cyano-2-pyridinyl)-methylamino]ethyl N-(3-chlorophenyl)carbamate?
The InChIKey is ZHDLJQKKXVMMDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClN4O2/c1-21(15-6-5-12(10-18)11-19-15)7-8-23-16(22)20-14-4-2-3-13(17)9-14/h2-6,9,11H,7-8H2,1H3,(H,20,22).
What are the key properties of 2-[(5-cyano-2-pyridinyl)-methylamino]ethyl N-(3-chlorophenyl)carbamate?
2-[(5-cyano-2-pyridinyl)-methylamino]ethyl N-(3-chlorophenyl)carbamate has a molecular weight of 330.78 g/mol, XLogP of 3.29, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-cyano-2-pyridinyl)-methylamino]ethyl N-(3-chlorophenyl)carbamate is sourced from PubChem (CID 2746224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).