2-(pyridin-4-ylamino)ethyl carbamate

C8H11N3O2 — CID 83203137

IUPAC2-(pyridin-4-ylamino)ethyl carbamate
SMILESNC(=O)OCCNc1ccncc1
InChIInChI=1S/C8H11N3O2/c9-8(12)13-6-5-11-7-1-3-10-4-2-7/h1-4H,5-6H2,(H2,9,12)(H,10,11)
InChIKeyXFINJKDMWWRUGM-UHFFFAOYSA-N
MW181.20 g/mol
LogP0.59
Rot. Bonds4

About 2-(pyridin-4-ylamino)ethyl carbamate

2-(pyridin-4-ylamino)ethyl carbamate (PubChem CID 83203137) has the molecular formula C8H11N3O2 and a molecular weight of 181.20 g/mol. Its IUPAC name is 2-(pyridin-4-ylamino)ethyl carbamate.

Molecular Properties

Compound Name2-(pyridin-4-ylamino)ethyl carbamate
PubChem CID83203137
Molecular FormulaC8H11N3O2
Molecular Weight181.20 g/mol
Exact Mass181.09
IUPAC Name2-(pyridin-4-ylamino)ethyl carbamate
SMILESNC(=O)OCCNc1ccncc1
InChIInChI=1S/C8H11N3O2/c9-8(12)13-6-5-11-7-1-3-10-4-2-7/h1-4H,5-6H2,(H2,9,12)(H,10,11)
InChIKeyXFINJKDMWWRUGM-UHFFFAOYSA-N
XLogP0.59
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.20
LogP ≤ 50.59
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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Related Compounds

2-[(2-methoxy-4-pyridinyl)amino]ethyl carbamate
CID 83205251
2-(4-propanoylanilino)ethyl carbamate
CID 114066714
N-[2-(2-aminoethoxy)ethyl]pyridin-4-amine
CID 63767044
2-[[5-(methylamino)-3-pyridinyl]amino]ethyl carbamate
CID 104535709
5-(2-carbamoyloxyethylamino)pyridine-2-carboxylic acid
CID 104638978
2-[(8-aminoisoquinolin-5-yl)amino]ethyl carbamate
CID 83201721
4-(pyridin-4-ylamino)butan-2-one
CID 89125446
2-(4-amino-3-methylanilino)ethyl carbamate
CID 83201975
N,N'-dipyridin-4-ylheptane-1,7-diamine
CID 23645208
2-[[4-(propylamino)benzoyl]amino]ethyl carbamate
CID 83215122
2-[(5,6-diamino-2-pyridinyl)amino]ethyl carbamate
CID 83201893
2-[(6-aminopyrimidin-4-yl)amino]ethyl carbamate
CID 83215450

Frequently Asked Questions

What is the IUPAC name of 2-(pyridin-4-ylamino)ethyl carbamate?
The IUPAC name of 2-(pyridin-4-ylamino)ethyl carbamate (CID 83203137) is 2-(pyridin-4-ylamino)ethyl carbamate.
What is the SMILES notation for 2-(pyridin-4-ylamino)ethyl carbamate?
The canonical SMILES for 2-(pyridin-4-ylamino)ethyl carbamate is NC(=O)OCCNc1ccncc1.
What is the InChIKey of 2-(pyridin-4-ylamino)ethyl carbamate?
The InChIKey is XFINJKDMWWRUGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3O2/c9-8(12)13-6-5-11-7-1-3-10-4-2-7/h1-4H,5-6H2,(H2,9,12)(H,10,11).
What are the key properties of 2-(pyridin-4-ylamino)ethyl carbamate?
2-(pyridin-4-ylamino)ethyl carbamate has a molecular weight of 181.20 g/mol, XLogP of 0.59, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(pyridin-4-ylamino)ethyl carbamate is sourced from PubChem (CID 83203137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).