ethyl 6-[(5-amino-1H-pyrazol-4-yl)methylamino]pyridine-3-carboxylate

C12H15N5O2 — CID 79530640

IUPACethyl 6-[(5-amino-1H-pyrazol-4-yl)methylamino]pyridine-3-carboxylate
SMILESCCOC(=O)c1ccc(NCc2cn[nH]c2N)nc1
InChIInChI=1S/C12H15N5O2/c1-2-19-12(18)8-3-4-10(14-5-8)15-6-9-7-16-17-11(9)13/h3-5,7H,2,6H2,1H3,(H,14,15)(H3,13,16,17)
InChIKeyMMPNQDKZUYXARE-UHFFFAOYSA-N
MW261.29 g/mol
LogP1.18
Rot. Bonds5

About ethyl 6-[(5-amino-1H-pyrazol-4-yl)methylamino]pyridine-3-carboxylate

ethyl 6-[(5-amino-1H-pyrazol-4-yl)methylamino]pyridine-3-carboxylate (PubChem CID 79530640) has the molecular formula C12H15N5O2 and a molecular weight of 261.29 g/mol. Its IUPAC name is ethyl 6-[(5-amino-1H-pyrazol-4-yl)methylamino]pyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 6-[(5-amino-1H-pyrazol-4-yl)methylamino]pyridine-3-carboxylate
PubChem CID79530640
Molecular FormulaC12H15N5O2
Molecular Weight261.29 g/mol
Exact Mass261.12
IUPAC Nameethyl 6-[(5-amino-1H-pyrazol-4-yl)methylamino]pyridine-3-carboxylate
SMILESCCOC(=O)c1ccc(NCc2cn[nH]c2N)nc1
InChIInChI=1S/C12H15N5O2/c1-2-19-12(18)8-3-4-10(14-5-8)15-6-9-7-16-17-11(9)13/h3-5,7H,2,6H2,1H3,(H,14,15)(H3,13,16,17)
InChIKeyMMPNQDKZUYXARE-UHFFFAOYSA-N
XLogP1.18
TPSA105.92 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.29
LogP ≤ 51.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze ethyl 6-[(5-amino-1H-pyrazol-4-yl)methylamino]pyridine-3-carboxylate 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

ethyl 6-[(1,3-dimethylpyrazol-4-yl)methylamino]pyridine-3-carboxylate
CID 115990559
ethyl 6-[(2,4-difluorophenyl)methylamino]pyridine-3-carboxylate
CID 62048016
ethyl 6-(2,2-dimethylpropylamino)pyridine-3-carboxylate
CID 61166664
ethyl 6-(1,3-thiazol-5-ylmethylamino)pyridine-3-carboxylate
CID 104577452
ethyl 6-(1,2,4-oxadiazol-3-ylmethylamino)pyridine-3-carboxylate
CID 106400737
ethyl 6-(1,2-oxazol-3-ylmethylamino)pyridine-3-carboxylate
CID 79492611
ethyl 6-[(3-amino-3-oxopropyl)amino]pyridine-3-carboxylate
CID 43532828
ethyl 6-[[2-(methylamino)-2-oxoethyl]amino]pyridine-3-carboxylate
CID 43243884
ethyl 6-[[4-fluoro-2-(trifluoromethyl)phenyl]methylamino]pyridine-3-carboxylate
CID 60505506
ethyl 6-(2-methylbutylamino)pyridine-3-carboxylate
CID 55108410
ethyl 6-[(1,3,5-trimethylpyrazol-4-yl)methylamino]pyridine-3-carboxylate
CID 79034168
ethyl 6-[[3-(diethylamino)-3-oxopropyl]amino]pyridine-3-carboxylate
CID 60926074

Frequently Asked Questions

What is the IUPAC name of ethyl 6-[(5-amino-1H-pyrazol-4-yl)methylamino]pyridine-3-carboxylate?
The IUPAC name of ethyl 6-[(5-amino-1H-pyrazol-4-yl)methylamino]pyridine-3-carboxylate (CID 79530640) is ethyl 6-[(5-amino-1H-pyrazol-4-yl)methylamino]pyridine-3-carboxylate.
What is the SMILES notation for ethyl 6-[(5-amino-1H-pyrazol-4-yl)methylamino]pyridine-3-carboxylate?
The canonical SMILES for ethyl 6-[(5-amino-1H-pyrazol-4-yl)methylamino]pyridine-3-carboxylate is CCOC(=O)c1ccc(NCc2cn[nH]c2N)nc1.
What is the InChIKey of ethyl 6-[(5-amino-1H-pyrazol-4-yl)methylamino]pyridine-3-carboxylate?
The InChIKey is MMPNQDKZUYXARE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N5O2/c1-2-19-12(18)8-3-4-10(14-5-8)15-6-9-7-16-17-11(9)13/h3-5,7H,2,6H2,1H3,(H,14,15)(H3,13,16,17).
What are the key properties of ethyl 6-[(5-amino-1H-pyrazol-4-yl)methylamino]pyridine-3-carboxylate?
ethyl 6-[(5-amino-1H-pyrazol-4-yl)methylamino]pyridine-3-carboxylate has a molecular weight of 261.29 g/mol, XLogP of 1.18, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6-[(5-amino-1H-pyrazol-4-yl)methylamino]pyridine-3-carboxylate is sourced from PubChem (CID 79530640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).