2-[[5-(methylamino)-3-pyridinyl]amino]ethyl carbamate

C9H14N4O2 — CID 104535709

IUPAC2-[[5-(methylamino)-3-pyridinyl]amino]ethyl carbamate
SMILESCNc1cncc(NCCOC(N)=O)c1
InChIInChI=1S/C9H14N4O2/c1-11-7-4-8(6-12-5-7)13-2-3-15-9(10)14/h4-6,11,13H,2-3H2,1H3,(H2,10,14)
InChIKeyUTYCJNURLOKKCH-UHFFFAOYSA-N
MW210.24 g/mol
LogP0.63
Rot. Bonds5

About 2-[[5-(methylamino)-3-pyridinyl]amino]ethyl carbamate

2-[[5-(methylamino)-3-pyridinyl]amino]ethyl carbamate (PubChem CID 104535709) has the molecular formula C9H14N4O2 and a molecular weight of 210.24 g/mol. Its IUPAC name is 2-[[5-(methylamino)-3-pyridinyl]amino]ethyl carbamate.

Molecular Properties

Compound Name2-[[5-(methylamino)-3-pyridinyl]amino]ethyl carbamate
PubChem CID104535709
Molecular FormulaC9H14N4O2
Molecular Weight210.24 g/mol
Exact Mass210.11
IUPAC Name2-[[5-(methylamino)-3-pyridinyl]amino]ethyl carbamate
SMILESCNc1cncc(NCCOC(N)=O)c1
InChIInChI=1S/C9H14N4O2/c1-11-7-4-8(6-12-5-7)13-2-3-15-9(10)14/h4-6,11,13H,2-3H2,1H3,(H2,10,14)
InChIKeyUTYCJNURLOKKCH-UHFFFAOYSA-N
XLogP0.63
TPSA89.27 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.24
LogP ≤ 50.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

ethyl 3-[[5-(methylamino)-3-pyridinyl]amino]propanoate
CID 104534061
5-N-(2-ethoxyethyl)-3-N-methylpyridine-3,5-diamine
CID 104533068
3-N-methyl-5-N-(2-propan-2-yloxyethyl)pyridine-3,5-diamine
CID 104767059
2-[[5-(methylamino)-3-pyridinyl]amino]ethanol
CID 104532515
3-N-methyl-5-N-(2-methylsulfonylethyl)pyridine-3,5-diamine
CID 104533155
2-(pyridin-4-ylamino)ethyl carbamate
CID 83203137
2-[3-[[5-(methylamino)-3-pyridinyl]amino]propoxy]ethanol
CID 106311546
4-[[5-(methylamino)-3-pyridinyl]amino]butan-1-ol
CID 106846876
3-methyl-3-[[5-(methylamino)-3-pyridinyl]amino]butanamide
CID 106098680
N-[2-[[5-(methylamino)-3-pyridinyl]amino]ethyl]methanesulfonamide
CID 104532982
N-butan-2-yl-3-[[5-(methylamino)-3-pyridinyl]amino]propanamide
CID 113423927
2-[[5-(propylamino)-3-pyridinyl]amino]ethylurea
CID 113424225

Frequently Asked Questions

What is the IUPAC name of 2-[[5-(methylamino)-3-pyridinyl]amino]ethyl carbamate?
The IUPAC name of 2-[[5-(methylamino)-3-pyridinyl]amino]ethyl carbamate (CID 104535709) is 2-[[5-(methylamino)-3-pyridinyl]amino]ethyl carbamate.
What is the SMILES notation for 2-[[5-(methylamino)-3-pyridinyl]amino]ethyl carbamate?
The canonical SMILES for 2-[[5-(methylamino)-3-pyridinyl]amino]ethyl carbamate is CNc1cncc(NCCOC(N)=O)c1.
What is the InChIKey of 2-[[5-(methylamino)-3-pyridinyl]amino]ethyl carbamate?
The InChIKey is UTYCJNURLOKKCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N4O2/c1-11-7-4-8(6-12-5-7)13-2-3-15-9(10)14/h4-6,11,13H,2-3H2,1H3,(H2,10,14).
What are the key properties of 2-[[5-(methylamino)-3-pyridinyl]amino]ethyl carbamate?
2-[[5-(methylamino)-3-pyridinyl]amino]ethyl carbamate has a molecular weight of 210.24 g/mol, XLogP of 0.63, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-(methylamino)-3-pyridinyl]amino]ethyl carbamate is sourced from PubChem (CID 104535709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).