ethyl N-[[4-(diethylcarbamoyl)-2-pyridinyl]methyl]carbamate

C14H21N3O3 — CID 112530525

IUPACethyl N-[[4-(diethylcarbamoyl)-2-pyridinyl]methyl]carbamate
SMILESCCOC(=O)NCc1cc(C(=O)N(CC)CC)ccn1
InChIInChI=1S/C14H21N3O3/c1-4-17(5-2)13(18)11-7-8-15-12(9-11)10-16-14(19)20-6-3/h7-9H,4-6,10H2,1-3H3,(H,16,19)
InChIKeyCPJLWCPJRQZFQW-UHFFFAOYSA-N
MW279.34 g/mol
LogP1.81
Rot. Bonds6

About ethyl N-[[4-(diethylcarbamoyl)-2-pyridinyl]methyl]carbamate

ethyl N-[[4-(diethylcarbamoyl)-2-pyridinyl]methyl]carbamate (PubChem CID 112530525) has the molecular formula C14H21N3O3 and a molecular weight of 279.34 g/mol. Its IUPAC name is ethyl N-[[4-(diethylcarbamoyl)-2-pyridinyl]methyl]carbamate.

Molecular Properties

Compound Nameethyl N-[[4-(diethylcarbamoyl)-2-pyridinyl]methyl]carbamate
PubChem CID112530525
Molecular FormulaC14H21N3O3
Molecular Weight279.34 g/mol
Exact Mass279.16
IUPAC Nameethyl N-[[4-(diethylcarbamoyl)-2-pyridinyl]methyl]carbamate
SMILESCCOC(=O)NCc1cc(C(=O)N(CC)CC)ccn1
InChIInChI=1S/C14H21N3O3/c1-4-17(5-2)13(18)11-7-8-15-12(9-11)10-16-14(19)20-6-3/h7-9H,4-6,10H2,1-3H3,(H,16,19)
InChIKeyCPJLWCPJRQZFQW-UHFFFAOYSA-N
XLogP1.81
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze ethyl N-[[4-(diethylcarbamoyl)-2-pyridinyl]methyl]carbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethyl N-[[4-(piperidine-1-carbonyl)-2-pyridinyl]methyl]carbamate
CID 112530420
ethyl N-[[4-(2-pyridin-4-ylethylcarbamoyl)-2-pyridinyl]methyl]carbamate
CID 112530224
ethyl N-[[4-(3-hydroxyazetidine-1-carbonyl)-2-pyridinyl]methyl]carbamate
CID 112531402
ethyl N-[[4-(4-amino-3-methylpyrazole-1-carbonyl)-2-pyridinyl]methyl]carbamate
CID 112525138
ethyl N-[[4-[(4-bromophenyl)carbamoyl]-2-pyridinyl]methyl]carbamate
CID 112520988
ethyl N-[[4-[(2-fluorophenyl)carbamoyl]-2-pyridinyl]methyl]carbamate
CID 112521296
ethyl N-[[4-[(2-methoxy-5-methylphenyl)carbamoyl]-2-pyridinyl]methyl]carbamate
CID 112521186
ethyl N-[[4-(2,3-dihydroindole-1-carbonyl)-2-pyridinyl]methyl]carbamate
CID 112532221
butyl N-[(4-methyl-2-pyridinyl)methyl]carbamate
CID 155071735
ethyl N-[[4-(5-amino-2-oxo-1,3-benzoxazole-3-carbonyl)-2-pyridinyl]methyl]carbamate
CID 112525915
2-(aminomethyl)-N,N-dipropylpyridine-4-carboxamide
CID 113277709
N,N-diethyl-2-(ethylamino)pyridine-4-carboxamide
CID 62172696

Frequently Asked Questions

What is the IUPAC name of ethyl N-[[4-(diethylcarbamoyl)-2-pyridinyl]methyl]carbamate?
The IUPAC name of ethyl N-[[4-(diethylcarbamoyl)-2-pyridinyl]methyl]carbamate (CID 112530525) is ethyl N-[[4-(diethylcarbamoyl)-2-pyridinyl]methyl]carbamate.
What is the SMILES notation for ethyl N-[[4-(diethylcarbamoyl)-2-pyridinyl]methyl]carbamate?
The canonical SMILES for ethyl N-[[4-(diethylcarbamoyl)-2-pyridinyl]methyl]carbamate is CCOC(=O)NCc1cc(C(=O)N(CC)CC)ccn1.
What is the InChIKey of ethyl N-[[4-(diethylcarbamoyl)-2-pyridinyl]methyl]carbamate?
The InChIKey is CPJLWCPJRQZFQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O3/c1-4-17(5-2)13(18)11-7-8-15-12(9-11)10-16-14(19)20-6-3/h7-9H,4-6,10H2,1-3H3,(H,16,19).
What are the key properties of ethyl N-[[4-(diethylcarbamoyl)-2-pyridinyl]methyl]carbamate?
ethyl N-[[4-(diethylcarbamoyl)-2-pyridinyl]methyl]carbamate has a molecular weight of 279.34 g/mol, XLogP of 1.81, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[[4-(diethylcarbamoyl)-2-pyridinyl]methyl]carbamate is sourced from PubChem (CID 112530525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).