ethyl 6-[[3-(1-methylpyrazol-4-yl)phenyl]methylamino]pyridine-3-carboxylate

C19H20N4O2 — CID 133411663

IUPACethyl 6-[[3-(1-methylpyrazol-4-yl)phenyl]methylamino]pyridine-3-carboxylate
SMILESCCOC(=O)c1ccc(NCc2cccc(-c3cnn(C)c3)c2)nc1
InChIInChI=1S/C19H20N4O2/c1-3-25-19(24)16-7-8-18(21-11-16)20-10-14-5-4-6-15(9-14)17-12-22-23(2)13-17/h4-9,11-13H,3,10H2,1-2H3,(H,20,21)
InChIKeyXDXFEGQDAOFYDR-UHFFFAOYSA-N
MW336.40 g/mol
LogP3.27
Rot. Bonds6

About ethyl 6-[[3-(1-methylpyrazol-4-yl)phenyl]methylamino]pyridine-3-carboxylate

ethyl 6-[[3-(1-methylpyrazol-4-yl)phenyl]methylamino]pyridine-3-carboxylate (PubChem CID 133411663) has the molecular formula C19H20N4O2 and a molecular weight of 336.40 g/mol. Its IUPAC name is ethyl 6-[[3-(1-methylpyrazol-4-yl)phenyl]methylamino]pyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 6-[[3-(1-methylpyrazol-4-yl)phenyl]methylamino]pyridine-3-carboxylate
PubChem CID133411663
Molecular FormulaC19H20N4O2
Molecular Weight336.40 g/mol
Exact Mass336.16
IUPAC Nameethyl 6-[[3-(1-methylpyrazol-4-yl)phenyl]methylamino]pyridine-3-carboxylate
SMILESCCOC(=O)c1ccc(NCc2cccc(-c3cnn(C)c3)c2)nc1
InChIInChI=1S/C19H20N4O2/c1-3-25-19(24)16-7-8-18(21-11-16)20-10-14-5-4-6-15(9-14)17-12-22-23(2)13-17/h4-9,11-13H,3,10H2,1-2H3,(H,20,21)
InChIKeyXDXFEGQDAOFYDR-UHFFFAOYSA-N
XLogP3.27
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.40
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze ethyl 6-[[3-(1-methylpyrazol-4-yl)phenyl]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

5-methyl-N-[[3-(1-methylpyrazol-4-yl)phenyl]methyl]pyrimidin-2-amine
CID 133411690
ethyl 6-[(1,3-dimethylpyrazol-4-yl)methylamino]pyridine-3-carboxylate
CID 115990559
ethyl 6-[[2-(dimethylamino)-4-pyridinyl]methylamino]pyridine-3-carboxylate
CID 37297447
6-chloro-N-[[3-(1-methylpyrazol-4-yl)phenyl]methyl]pyrazin-2-amine
CID 133411679
N-[[3-(1-methylpyrazol-4-yl)phenyl]methyl]pyrido[2,3-b]pyrazin-6-amine
CID 133411514
ethyl 4-[[6-(benzylamino)pyridine-3-carbonyl]amino]benzoate
CID 109155551
2-cyclopropyl-N-[[3-(1-methylpyrazol-4-yl)phenyl]methyl]pyrimidin-4-amine
CID 133411504
ethyl 6-[(1,3,5-trimethylpyrazol-4-yl)methylamino]pyridine-3-carboxylate
CID 79034168
ethyl 6-(2,2-dimethylpropylamino)pyridine-3-carboxylate
CID 61166664
ethyl 6-[(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)methylamino]pyridine-3-carboxylate
CID 78862479
ethyl 6-[(6-imidazol-1-yl-3-pyridinyl)methylamino]pyridine-3-carboxylate
CID 31537374
6-methyl-N-[[3-(1-methylpyrazol-4-yl)phenyl]methyl]-2-(3-nitrophenyl)pyrimidin-4-amine
CID 133411695

Frequently Asked Questions

What is the IUPAC name of ethyl 6-[[3-(1-methylpyrazol-4-yl)phenyl]methylamino]pyridine-3-carboxylate?
The IUPAC name of ethyl 6-[[3-(1-methylpyrazol-4-yl)phenyl]methylamino]pyridine-3-carboxylate (CID 133411663) is ethyl 6-[[3-(1-methylpyrazol-4-yl)phenyl]methylamino]pyridine-3-carboxylate.
What is the SMILES notation for ethyl 6-[[3-(1-methylpyrazol-4-yl)phenyl]methylamino]pyridine-3-carboxylate?
The canonical SMILES for ethyl 6-[[3-(1-methylpyrazol-4-yl)phenyl]methylamino]pyridine-3-carboxylate is CCOC(=O)c1ccc(NCc2cccc(-c3cnn(C)c3)c2)nc1.
What is the InChIKey of ethyl 6-[[3-(1-methylpyrazol-4-yl)phenyl]methylamino]pyridine-3-carboxylate?
The InChIKey is XDXFEGQDAOFYDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O2/c1-3-25-19(24)16-7-8-18(21-11-16)20-10-14-5-4-6-15(9-14)17-12-22-23(2)13-17/h4-9,11-13H,3,10H2,1-2H3,(H,20,21).
What are the key properties of ethyl 6-[[3-(1-methylpyrazol-4-yl)phenyl]methylamino]pyridine-3-carboxylate?
ethyl 6-[[3-(1-methylpyrazol-4-yl)phenyl]methylamino]pyridine-3-carboxylate has a molecular weight of 336.40 g/mol, XLogP of 3.27, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6-[[3-(1-methylpyrazol-4-yl)phenyl]methylamino]pyridine-3-carboxylate is sourced from PubChem (CID 133411663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).