2-[(4-cyano-6-methyl-2-pyridinyl)amino]ethyl carbamate

C10H12N4O2 — CID 114766558

IUPAC2-[(4-cyano-6-methyl-2-pyridinyl)amino]ethyl carbamate
SMILESCc1cc(C#N)cc(NCCOC(N)=O)n1
InChIInChI=1S/C10H12N4O2/c1-7-4-8(6-11)5-9(14-7)13-2-3-16-10(12)15/h4-5H,2-3H2,1H3,(H2,12,15)(H,13,14)
InChIKeyRMRNIBGQIZEXMV-UHFFFAOYSA-N
MW220.23 g/mol
LogP0.77
Rot. Bonds4

About 2-[(4-cyano-6-methyl-2-pyridinyl)amino]ethyl carbamate

2-[(4-cyano-6-methyl-2-pyridinyl)amino]ethyl carbamate (PubChem CID 114766558) has the molecular formula C10H12N4O2 and a molecular weight of 220.23 g/mol. Its IUPAC name is 2-[(4-cyano-6-methyl-2-pyridinyl)amino]ethyl carbamate.

Molecular Properties

Compound Name2-[(4-cyano-6-methyl-2-pyridinyl)amino]ethyl carbamate
PubChem CID114766558
Molecular FormulaC10H12N4O2
Molecular Weight220.23 g/mol
Exact Mass220.10
IUPAC Name2-[(4-cyano-6-methyl-2-pyridinyl)amino]ethyl carbamate
SMILESCc1cc(C#N)cc(NCCOC(N)=O)n1
InChIInChI=1S/C10H12N4O2/c1-7-4-8(6-11)5-9(14-7)13-2-3-16-10(12)15/h4-5H,2-3H2,1H3,(H2,12,15)(H,13,14)
InChIKeyRMRNIBGQIZEXMV-UHFFFAOYSA-N
XLogP0.77
TPSA101.03 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.23
LogP ≤ 50.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-[(4-cyano-6-methyl-2-pyridinyl)amino]ethylurea
CID 114766555
3-[(4-cyano-6-methyl-2-pyridinyl)amino]propanamide
CID 114765879
4-[(4-cyano-6-methyl-2-pyridinyl)amino]butanamide
CID 114765908
methyl 3-[(4-cyano-6-methyl-2-pyridinyl)amino]propanoate
CID 114765934
3-[(4-cyano-6-methyl-2-pyridinyl)amino]-N-methylpropanamide
CID 114766134
2-[(6-chloro-2-methylpyrimidin-4-yl)amino]ethyl carbamate
CID 83203473
2-methyl-6-(pentylamino)pyridine-4-carbonitrile
CID 114765696
methyl 2-[(4-cyano-6-methyl-2-pyridinyl)amino]-3-hydroxypropanoate
CID 114770412
2-[(4-cyano-6-methyl-2-pyridinyl)amino]-N,N-dimethylethanesulfonamide
CID 106338610
2-[2-(4-hydroxyphenyl)ethylamino]-6-methylpyridine-4-carbonitrile
CID 114765933
4-[2-[(4-cyano-6-methyl-2-pyridinyl)amino]ethyl]heptanoic acid
CID 114765429
2-[2-[(6-chloro-4-cyano-2-pyridinyl)amino]ethoxy]acetamide
CID 106240014

Frequently Asked Questions

What is the IUPAC name of 2-[(4-cyano-6-methyl-2-pyridinyl)amino]ethyl carbamate?
The IUPAC name of 2-[(4-cyano-6-methyl-2-pyridinyl)amino]ethyl carbamate (CID 114766558) is 2-[(4-cyano-6-methyl-2-pyridinyl)amino]ethyl carbamate.
What is the SMILES notation for 2-[(4-cyano-6-methyl-2-pyridinyl)amino]ethyl carbamate?
The canonical SMILES for 2-[(4-cyano-6-methyl-2-pyridinyl)amino]ethyl carbamate is Cc1cc(C#N)cc(NCCOC(N)=O)n1.
What is the InChIKey of 2-[(4-cyano-6-methyl-2-pyridinyl)amino]ethyl carbamate?
The InChIKey is RMRNIBGQIZEXMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N4O2/c1-7-4-8(6-11)5-9(14-7)13-2-3-16-10(12)15/h4-5H,2-3H2,1H3,(H2,12,15)(H,13,14).
What are the key properties of 2-[(4-cyano-6-methyl-2-pyridinyl)amino]ethyl carbamate?
2-[(4-cyano-6-methyl-2-pyridinyl)amino]ethyl carbamate has a molecular weight of 220.23 g/mol, XLogP of 0.77, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-cyano-6-methyl-2-pyridinyl)amino]ethyl carbamate is sourced from PubChem (CID 114766558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).