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

C17H20N4O3 — CID 112530224

IUPACethyl N-[[4-(2-pyridin-4-ylethylcarbamoyl)-2-pyridinyl]methyl]carbamate
SMILESCCOC(=O)NCc1cc(C(=O)NCCc2ccncc2)ccn1
InChIInChI=1S/C17H20N4O3/c1-2-24-17(23)21-12-15-11-14(6-10-19-15)16(22)20-9-5-13-3-7-18-8-4-13/h3-4,6-8,10-11H,2,5,9,12H2,1H3,(H,20,22)(H,21,23)
InChIKeyILFINALRTCMXIQ-UHFFFAOYSA-N
MW328.37 g/mol
LogP1.70
Rot. Bonds7

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

ethyl N-[[4-(2-pyridin-4-ylethylcarbamoyl)-2-pyridinyl]methyl]carbamate (PubChem CID 112530224) has the molecular formula C17H20N4O3 and a molecular weight of 328.37 g/mol. Its IUPAC name is ethyl N-[[4-(2-pyridin-4-ylethylcarbamoyl)-2-pyridinyl]methyl]carbamate.

Molecular Properties

Compound Nameethyl N-[[4-(2-pyridin-4-ylethylcarbamoyl)-2-pyridinyl]methyl]carbamate
PubChem CID112530224
Molecular FormulaC17H20N4O3
Molecular Weight328.37 g/mol
Exact Mass328.15
IUPAC Nameethyl N-[[4-(2-pyridin-4-ylethylcarbamoyl)-2-pyridinyl]methyl]carbamate
SMILESCCOC(=O)NCc1cc(C(=O)NCCc2ccncc2)ccn1
InChIInChI=1S/C17H20N4O3/c1-2-24-17(23)21-12-15-11-14(6-10-19-15)16(22)20-9-5-13-3-7-18-8-4-13/h3-4,6-8,10-11H,2,5,9,12H2,1H3,(H,20,22)(H,21,23)
InChIKeyILFINALRTCMXIQ-UHFFFAOYSA-N
XLogP1.70
TPSA93.21 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.37
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl N-[[4-(diethylcarbamoyl)-2-pyridinyl]methyl]carbamate
CID 112530525
ethyl N-[[4-[(2-fluorophenyl)carbamoyl]-2-pyridinyl]methyl]carbamate
CID 112521296
ethyl N-[[4-[(4-bromophenyl)carbamoyl]-2-pyridinyl]methyl]carbamate
CID 112520988
ethyl N-[[4-(piperidine-1-carbonyl)-2-pyridinyl]methyl]carbamate
CID 112530420
ethyl N-[[4-[(2-methoxy-5-methylphenyl)carbamoyl]-2-pyridinyl]methyl]carbamate
CID 112521186
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
N-[2-(4-ethylphenyl)ethyl]pyridine-4-carboxamide
CID 110787242
N-[2-(4-fluorophenyl)ethyl]-2-(methanesulfonamidomethyl)pyridine-4-carboxamide
CID 112529108
4-ethyl-N-(2-pyridin-4-ylethyl)benzamide
CID 70990816
3,5-diamino-N-(2-pyridin-4-ylethyl)benzamide
CID 61104259
2-(aminomethyl)-N-(2-pyridin-3-ylethyl)pyridine-4-carboxamide
CID 112530316

Frequently Asked Questions

What is the IUPAC name of ethyl N-[[4-(2-pyridin-4-ylethylcarbamoyl)-2-pyridinyl]methyl]carbamate?
The IUPAC name of ethyl N-[[4-(2-pyridin-4-ylethylcarbamoyl)-2-pyridinyl]methyl]carbamate (CID 112530224) is ethyl N-[[4-(2-pyridin-4-ylethylcarbamoyl)-2-pyridinyl]methyl]carbamate.
What is the SMILES notation for ethyl N-[[4-(2-pyridin-4-ylethylcarbamoyl)-2-pyridinyl]methyl]carbamate?
The canonical SMILES for ethyl N-[[4-(2-pyridin-4-ylethylcarbamoyl)-2-pyridinyl]methyl]carbamate is CCOC(=O)NCc1cc(C(=O)NCCc2ccncc2)ccn1.
What is the InChIKey of ethyl N-[[4-(2-pyridin-4-ylethylcarbamoyl)-2-pyridinyl]methyl]carbamate?
The InChIKey is ILFINALRTCMXIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O3/c1-2-24-17(23)21-12-15-11-14(6-10-19-15)16(22)20-9-5-13-3-7-18-8-4-13/h3-4,6-8,10-11H,2,5,9,12H2,1H3,(H,20,22)(H,21,23).
What are the key properties of ethyl N-[[4-(2-pyridin-4-ylethylcarbamoyl)-2-pyridinyl]methyl]carbamate?
ethyl N-[[4-(2-pyridin-4-ylethylcarbamoyl)-2-pyridinyl]methyl]carbamate has a molecular weight of 328.37 g/mol, XLogP of 1.70, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[[4-(2-pyridin-4-ylethylcarbamoyl)-2-pyridinyl]methyl]carbamate is sourced from PubChem (CID 112530224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).