methyl 3-amino-2-[(4-ethylphenyl)methylamino]pyridine-4-carboxylate

C16H19N3O2 — CID 106900660

IUPACmethyl 3-amino-2-[(4-ethylphenyl)methylamino]pyridine-4-carboxylate
SMILESCCc1ccc(CNc2nccc(C(=O)OC)c2N)cc1
InChIInChI=1S/C16H19N3O2/c1-3-11-4-6-12(7-5-11)10-19-15-14(17)13(8-9-18-15)16(20)21-2/h4-9H,3,10,17H2,1-2H3,(H,18,19)
InChIKeyGXEGVAMWMSFXMV-UHFFFAOYSA-N
MW285.35 g/mol
LogP2.62
Rot. Bonds5

About methyl 3-amino-2-[(4-ethylphenyl)methylamino]pyridine-4-carboxylate

methyl 3-amino-2-[(4-ethylphenyl)methylamino]pyridine-4-carboxylate (PubChem CID 106900660) has the molecular formula C16H19N3O2 and a molecular weight of 285.35 g/mol. Its IUPAC name is methyl 3-amino-2-[(4-ethylphenyl)methylamino]pyridine-4-carboxylate.

Molecular Properties

Compound Namemethyl 3-amino-2-[(4-ethylphenyl)methylamino]pyridine-4-carboxylate
PubChem CID106900660
Molecular FormulaC16H19N3O2
Molecular Weight285.35 g/mol
Exact Mass285.15
IUPAC Namemethyl 3-amino-2-[(4-ethylphenyl)methylamino]pyridine-4-carboxylate
SMILESCCc1ccc(CNc2nccc(C(=O)OC)c2N)cc1
InChIInChI=1S/C16H19N3O2/c1-3-11-4-6-12(7-5-11)10-19-15-14(17)13(8-9-18-15)16(20)21-2/h4-9H,3,10,17H2,1-2H3,(H,18,19)
InChIKeyGXEGVAMWMSFXMV-UHFFFAOYSA-N
XLogP2.62
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.35
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 3-amino-2-[(2-methoxy-2-methylpropyl)amino]pyridine-4-carboxylate
CID 104765047
methyl 2-amino-3-[(4-ethylphenyl)methylamino]benzoate
CID 106900672
methyl 3-amino-2-(2-ethylhexylamino)pyridine-4-carboxylate
CID 107817832
3-N-[(4-ethylphenyl)methyl]pyrazine-2,3-diamine
CID 103634007
2-[(4-ethylphenyl)methylamino]pyridine-3-carboxylic acid
CID 106900004
ethyl 3-amino-2-[(4-ethyl-1,2,4-triazol-3-yl)methylamino]pyridine-4-carboxylate
CID 106304050
methyl 3-amino-2-(piperidin-1-ylamino)pyridine-4-carboxylate
CID 83022806
N-[(4-ethylphenyl)methyl]-3-methoxypyridin-2-amine
CID 103872142
methyl 2-[(2-methoxy-4-pyridinyl)methylamino]pyridine-3-carboxylate
CID 60724684
methyl 4-[[(3-methyl-2-pyridinyl)amino]methyl]benzoate
CID 83316546
ethyl 3-amino-2-[2-(ethylsulfamoyl)ethylamino]pyridine-4-carboxylate
CID 106341966
methyl 3-amino-2-(difluoromethyl)pyridine-4-carboxylate
CID 130094864

Frequently Asked Questions

What is the IUPAC name of methyl 3-amino-2-[(4-ethylphenyl)methylamino]pyridine-4-carboxylate?
The IUPAC name of methyl 3-amino-2-[(4-ethylphenyl)methylamino]pyridine-4-carboxylate (CID 106900660) is methyl 3-amino-2-[(4-ethylphenyl)methylamino]pyridine-4-carboxylate.
What is the SMILES notation for methyl 3-amino-2-[(4-ethylphenyl)methylamino]pyridine-4-carboxylate?
The canonical SMILES for methyl 3-amino-2-[(4-ethylphenyl)methylamino]pyridine-4-carboxylate is CCc1ccc(CNc2nccc(C(=O)OC)c2N)cc1.
What is the InChIKey of methyl 3-amino-2-[(4-ethylphenyl)methylamino]pyridine-4-carboxylate?
The InChIKey is GXEGVAMWMSFXMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O2/c1-3-11-4-6-12(7-5-11)10-19-15-14(17)13(8-9-18-15)16(20)21-2/h4-9H,3,10,17H2,1-2H3,(H,18,19).
What are the key properties of methyl 3-amino-2-[(4-ethylphenyl)methylamino]pyridine-4-carboxylate?
methyl 3-amino-2-[(4-ethylphenyl)methylamino]pyridine-4-carboxylate has a molecular weight of 285.35 g/mol, XLogP of 2.62, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-amino-2-[(4-ethylphenyl)methylamino]pyridine-4-carboxylate is sourced from PubChem (CID 106900660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).