methyl 4-(2-aminoethylamino)pyridine-3-carboxylate

C9H13N3O2 — CID 83830923

IUPACmethyl 4-(2-aminoethylamino)pyridine-3-carboxylate
SMILESCOC(=O)c1cnccc1NCCN
InChIInChI=1S/C9H13N3O2/c1-14-9(13)7-6-11-4-2-8(7)12-5-3-10/h2,4,6H,3,5,10H2,1H3,(H,11,12)
InChIKeyCFYVBGBDUPOFAO-UHFFFAOYSA-N
MW195.22 g/mol
LogP0.24
Rot. Bonds4

About methyl 4-(2-aminoethylamino)pyridine-3-carboxylate

methyl 4-(2-aminoethylamino)pyridine-3-carboxylate (PubChem CID 83830923) has the molecular formula C9H13N3O2 and a molecular weight of 195.22 g/mol. Its IUPAC name is methyl 4-(2-aminoethylamino)pyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 4-(2-aminoethylamino)pyridine-3-carboxylate
PubChem CID83830923
Molecular FormulaC9H13N3O2
Molecular Weight195.22 g/mol
Exact Mass195.10
IUPAC Namemethyl 4-(2-aminoethylamino)pyridine-3-carboxylate
SMILESCOC(=O)c1cnccc1NCCN
InChIInChI=1S/C9H13N3O2/c1-14-9(13)7-6-11-4-2-8(7)12-5-3-10/h2,4,6H,3,5,10H2,1H3,(H,11,12)
InChIKeyCFYVBGBDUPOFAO-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

methyl 4-fluoropyridine-3-carboxylate
CID 46311150
methyl 4-anilinopyridine-3-carboxylate
CID 119016910
N'-(3-fluoro-4-pyridinyl)ethane-1,2-diamine
CID 112703774
methyl 4-methylpyridine-3-carboxylate
CID 10877301
4-[2-(2-methoxyethoxy)ethylamino]pyridine-3-carboxylic acid
CID 81243550
methyl 4-(difluoromethyl)pyridine-3-carboxylate
CID 97181391
4-[2-(2,2-dimethylpropanoylamino)ethylamino]pyridine-3-carboxamide
CID 133455073
N,N-bis(2-methoxyethyl)-4-(propylamino)pyridine-3-carboxamide
CID 81237784
methyl 4-[[5-amino-2-methyl-6-(methylamino)pyrimidin-4-yl]amino]pyridine-3-carboxylate
CID 174290038
methyl 3-carbonochloridoylpyridine-4-carboxylate;hydrochloride
CID 88617430
4-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethylamino]pyridine-3-carboxylic acid
CID 114518113
N-[2-(carbamoylamino)ethyl]-4-(propylamino)pyridine-3-carboxamide
CID 83115001

Frequently Asked Questions

What is the IUPAC name of methyl 4-(2-aminoethylamino)pyridine-3-carboxylate?
The IUPAC name of methyl 4-(2-aminoethylamino)pyridine-3-carboxylate (CID 83830923) is methyl 4-(2-aminoethylamino)pyridine-3-carboxylate.
What is the SMILES notation for methyl 4-(2-aminoethylamino)pyridine-3-carboxylate?
The canonical SMILES for methyl 4-(2-aminoethylamino)pyridine-3-carboxylate is COC(=O)c1cnccc1NCCN.
What is the InChIKey of methyl 4-(2-aminoethylamino)pyridine-3-carboxylate?
The InChIKey is CFYVBGBDUPOFAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O2/c1-14-9(13)7-6-11-4-2-8(7)12-5-3-10/h2,4,6H,3,5,10H2,1H3,(H,11,12).
What are the key properties of methyl 4-(2-aminoethylamino)pyridine-3-carboxylate?
methyl 4-(2-aminoethylamino)pyridine-3-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 4-(2-aminoethylamino)pyridine-3-carboxylate is sourced from PubChem (CID 83830923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).