2-[(6-amino-3-pyridinyl)-methylamino]ethylcarbamic acid

C9H14N4O2 — CID 154385194

IUPAC2-[(6-amino-3-pyridinyl)-methylamino]ethylcarbamic acid
SMILESCN(CCNC(=O)O)c1ccc(N)nc1
InChIInChI=1S/C9H14N4O2/c1-13(5-4-11-9(14)15)7-2-3-8(10)12-6-7/h2-3,6,11H,4-5H2,1H3,(H2,10,12)(H,14,15)
InChIKeyFDFDKABIXSNHCE-UHFFFAOYSA-N
MW210.24 g/mol
LogP0.37
Rot. Bonds4

About 2-[(6-amino-3-pyridinyl)-methylamino]ethylcarbamic acid

2-[(6-amino-3-pyridinyl)-methylamino]ethylcarbamic acid (PubChem CID 154385194) has the molecular formula C9H14N4O2 and a molecular weight of 210.24 g/mol. Its IUPAC name is 2-[(6-amino-3-pyridinyl)-methylamino]ethylcarbamic acid.

Molecular Properties

Compound Name2-[(6-amino-3-pyridinyl)-methylamino]ethylcarbamic acid
PubChem CID154385194
Molecular FormulaC9H14N4O2
Molecular Weight210.24 g/mol
Exact Mass210.11
IUPAC Name2-[(6-amino-3-pyridinyl)-methylamino]ethylcarbamic acid
SMILESCN(CCNC(=O)O)c1ccc(N)nc1
InChIInChI=1S/C9H14N4O2/c1-13(5-4-11-9(14)15)7-2-3-8(10)12-6-7/h2-3,6,11H,4-5H2,1H3,(H2,10,12)(H,14,15)
InChIKeyFDFDKABIXSNHCE-UHFFFAOYSA-N
XLogP0.37
TPSA91.48 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.24
LogP ≤ 50.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 2-[(6-amino-3-pyridinyl)-methylamino]ethylcarbamic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[(6-amino-3-pyridinyl)-methylamino]acetamide
CID 43374025
5-N-methyl-5-N-(2-phenylethyl)pyridine-2,5-diamine
CID 65482934
N-(6-amino-3-pyridinyl)-N,3,4-trimethylbenzamide
CID 115268424
methyl N-(6-amino-3-pyridinyl)-N-methylcarbamate
CID 115268442
2-(5-amino-2-pyridinyl)-N-[2-(N-methylanilino)ethyl]acetamide;dihydrochloride
CID 120640648
5-N-methyl-5-N-prop-2-enylpyridine-2,5-diamine
CID 83635531
N-(6-amino-3-pyridinyl)-N-methylbutanamide
CID 115268400
6-amino-N-[2-[butan-2-yl(methyl)amino]ethyl]pyridine-3-carboxamide
CID 114134948
N-(6-amino-3-pyridinyl)-4-fluoro-N-methylbenzamide
CID 115268417
3-[2-[(6-amino-3-pyridinyl)amino]ethyl]-1,1-dimethylurea
CID 83116884
4-amino-5-methyl-N-[2-(N-methylanilino)ethyl]-1H-pyrazole-3-carboxamide
CID 62080891
2-[(5-amino-2-pyridinyl)-methylamino]ethylurea
CID 175430745

Frequently Asked Questions

What is the IUPAC name of 2-[(6-amino-3-pyridinyl)-methylamino]ethylcarbamic acid?
The IUPAC name of 2-[(6-amino-3-pyridinyl)-methylamino]ethylcarbamic acid (CID 154385194) is 2-[(6-amino-3-pyridinyl)-methylamino]ethylcarbamic acid.
What is the SMILES notation for 2-[(6-amino-3-pyridinyl)-methylamino]ethylcarbamic acid?
The canonical SMILES for 2-[(6-amino-3-pyridinyl)-methylamino]ethylcarbamic acid is CN(CCNC(=O)O)c1ccc(N)nc1.
What is the InChIKey of 2-[(6-amino-3-pyridinyl)-methylamino]ethylcarbamic acid?
The InChIKey is FDFDKABIXSNHCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N4O2/c1-13(5-4-11-9(14)15)7-2-3-8(10)12-6-7/h2-3,6,11H,4-5H2,1H3,(H2,10,12)(H,14,15).
What are the key properties of 2-[(6-amino-3-pyridinyl)-methylamino]ethylcarbamic acid?
2-[(6-amino-3-pyridinyl)-methylamino]ethylcarbamic acid has a molecular weight of 210.24 g/mol, XLogP of 0.37, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-amino-3-pyridinyl)-methylamino]ethylcarbamic acid is sourced from PubChem (CID 154385194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).