methyl 2-(2-aminoethylamino)pyridine-4-carboxylate

C9H13N3O2 — CID 83830934

IUPACmethyl 2-(2-aminoethylamino)pyridine-4-carboxylate
SMILESCOC(=O)c1ccnc(NCCN)c1
InChIInChI=1S/C9H13N3O2/c1-14-9(13)7-2-4-11-8(6-7)12-5-3-10/h2,4,6H,3,5,10H2,1H3,(H,11,12)
InChIKeyUQAZKKHKRBHIKK-UHFFFAOYSA-N
MW195.22 g/mol
LogP0.24
Rot. Bonds4

About methyl 2-(2-aminoethylamino)pyridine-4-carboxylate

methyl 2-(2-aminoethylamino)pyridine-4-carboxylate (PubChem CID 83830934) has the molecular formula C9H13N3O2 and a molecular weight of 195.22 g/mol. Its IUPAC name is methyl 2-(2-aminoethylamino)pyridine-4-carboxylate.

Molecular Properties

Compound Namemethyl 2-(2-aminoethylamino)pyridine-4-carboxylate
PubChem CID83830934
Molecular FormulaC9H13N3O2
Molecular Weight195.22 g/mol
Exact Mass195.10
IUPAC Namemethyl 2-(2-aminoethylamino)pyridine-4-carboxylate
SMILESCOC(=O)c1ccnc(NCCN)c1
InChIInChI=1S/C9H13N3O2/c1-14-9(13)7-2-4-11-8(6-7)12-5-3-10/h2,4,6H,3,5,10H2,1H3,(H,11,12)
InChIKeyUQAZKKHKRBHIKK-UHFFFAOYSA-N
XLogP0.24
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.22
LogP ≤ 50.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(4-methoxycarbonyl-2-pyridinyl)amino]acetic acid
CID 83834716
methyl 2-(phosphanylamino)pyridine-4-carboxylate
CID 22084632
methyl 2-[2-(1-methylpyrazol-3-yl)ethylamino]pyridine-4-carboxylate
CID 106105292
methyl 2-(propanoylamino)pyridine-4-carboxylate
CID 67508364
methyl 2-[(2,2-dimethylcyclopropyl)methylamino]pyridine-4-carboxylate
CID 114108227
methyl 2-(trideuteriomethylamino)pyridine-4-carboxylate
CID 155292007
methyl 4-chloro-3-[[2-(propylamino)pyridine-4-carbonyl]amino]benzoate
CID 109165128
methyl 2-(butan-2-ylamino)pyridine-4-carboxylate
CID 68814423
methyl 2-[[(2S)-butan-2-yl]amino]pyridine-4-carboxylate
CID 68814422
methyl 3-[[2-[2-(dimethylamino)ethylamino]pyridine-4-carbonyl]amino]benzoate
CID 109167870
methyl 2-[(2,4-dimethoxyphenyl)methylamino]pyridine-4-carboxylate
CID 39782603
methyl 2-[(1-methylsulfanylcyclobutyl)methylamino]pyridine-4-carboxylate
CID 114116541

Frequently Asked Questions

What is the IUPAC name of methyl 2-(2-aminoethylamino)pyridine-4-carboxylate?
The IUPAC name of methyl 2-(2-aminoethylamino)pyridine-4-carboxylate (CID 83830934) is methyl 2-(2-aminoethylamino)pyridine-4-carboxylate.
What is the SMILES notation for methyl 2-(2-aminoethylamino)pyridine-4-carboxylate?
The canonical SMILES for methyl 2-(2-aminoethylamino)pyridine-4-carboxylate is COC(=O)c1ccnc(NCCN)c1.
What is the InChIKey of methyl 2-(2-aminoethylamino)pyridine-4-carboxylate?
The InChIKey is UQAZKKHKRBHIKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O2/c1-14-9(13)7-2-4-11-8(6-7)12-5-3-10/h2,4,6H,3,5,10H2,1H3,(H,11,12).
What are the key properties of methyl 2-(2-aminoethylamino)pyridine-4-carboxylate?
methyl 2-(2-aminoethylamino)pyridine-4-carboxylate has a molecular weight of 195.22 g/mol, XLogP of 0.24, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(2-aminoethylamino)pyridine-4-carboxylate is sourced from PubChem (CID 83830934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).