2-(pyridine-4-carbonylamino)ethyl N-(4-methylphenyl)carbamate

C16H17N3O3 — CID 2078777

IUPAC2-(pyridine-4-carbonylamino)ethyl N-(4-methylphenyl)carbamate
SMILESCc1ccc(NC(=O)OCCNC(=O)c2ccncc2)cc1
InChIInChI=1S/C16H17N3O3/c1-12-2-4-14(5-3-12)19-16(21)22-11-10-18-15(20)13-6-8-17-9-7-13/h2-9H,10-11H2,1H3,(H,18,20)(H,19,21)
InChIKeyAANWICDXZJFNBI-UHFFFAOYSA-N
MW299.33 g/mol
LogP2.37
Rot. Bonds5

About 2-(pyridine-4-carbonylamino)ethyl N-(4-methylphenyl)carbamate

2-(pyridine-4-carbonylamino)ethyl N-(4-methylphenyl)carbamate (PubChem CID 2078777) has the molecular formula C16H17N3O3 and a molecular weight of 299.33 g/mol. Its IUPAC name is 2-(pyridine-4-carbonylamino)ethyl N-(4-methylphenyl)carbamate.

Molecular Properties

Compound Name2-(pyridine-4-carbonylamino)ethyl N-(4-methylphenyl)carbamate
PubChem CID2078777
Molecular FormulaC16H17N3O3
Molecular Weight299.33 g/mol
Exact Mass299.13
IUPAC Name2-(pyridine-4-carbonylamino)ethyl N-(4-methylphenyl)carbamate
SMILESCc1ccc(NC(=O)OCCNC(=O)c2ccncc2)cc1
InChIInChI=1S/C16H17N3O3/c1-12-2-4-14(5-3-12)19-16(21)22-11-10-18-15(20)13-6-8-17-9-7-13/h2-9H,10-11H2,1H3,(H,18,20)(H,19,21)
InChIKeyAANWICDXZJFNBI-UHFFFAOYSA-N
XLogP2.37
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.33
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(pyridine-4-carbonylamino)ethyl N-(4-methylphenyl)carbamate?
The IUPAC name of 2-(pyridine-4-carbonylamino)ethyl N-(4-methylphenyl)carbamate (CID 2078777) is 2-(pyridine-4-carbonylamino)ethyl N-(4-methylphenyl)carbamate.
What is the SMILES notation for 2-(pyridine-4-carbonylamino)ethyl N-(4-methylphenyl)carbamate?
The canonical SMILES for 2-(pyridine-4-carbonylamino)ethyl N-(4-methylphenyl)carbamate is Cc1ccc(NC(=O)OCCNC(=O)c2ccncc2)cc1.
What is the InChIKey of 2-(pyridine-4-carbonylamino)ethyl N-(4-methylphenyl)carbamate?
The InChIKey is AANWICDXZJFNBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O3/c1-12-2-4-14(5-3-12)19-16(21)22-11-10-18-15(20)13-6-8-17-9-7-13/h2-9H,10-11H2,1H3,(H,18,20)(H,19,21).
What are the key properties of 2-(pyridine-4-carbonylamino)ethyl N-(4-methylphenyl)carbamate?
2-(pyridine-4-carbonylamino)ethyl N-(4-methylphenyl)carbamate has a molecular weight of 299.33 g/mol, XLogP of 2.37, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(pyridine-4-carbonylamino)ethyl N-(4-methylphenyl)carbamate is sourced from PubChem (CID 2078777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).