ethyl 3-amino-2-(methylamino)-6-(4-phenylphenyl)pyridine-4-carboxylate

C21H21N3O2 — CID 10315680

IUPACethyl 3-amino-2-(methylamino)-6-(4-phenylphenyl)pyridine-4-carboxylate
SMILESCCOC(=O)c1cc(-c2ccc(-c3ccccc3)cc2)nc(NC)c1N
InChIInChI=1S/C21H21N3O2/c1-3-26-21(25)17-13-18(24-20(23-2)19(17)22)16-11-9-15(10-12-16)14-7-5-4-6-8-14/h4-13H,3,22H2,1-2H3,(H,23,24)
InChIKeyAPPBWMHBZJCOCX-UHFFFAOYSA-N
MW347.42 g/mol
LogP4.22
Rot. Bonds5

About ethyl 3-amino-2-(methylamino)-6-(4-phenylphenyl)pyridine-4-carboxylate

ethyl 3-amino-2-(methylamino)-6-(4-phenylphenyl)pyridine-4-carboxylate (PubChem CID 10315680) has the molecular formula C21H21N3O2 and a molecular weight of 347.42 g/mol. Its IUPAC name is ethyl 3-amino-2-(methylamino)-6-(4-phenylphenyl)pyridine-4-carboxylate.

Molecular Properties

Compound Nameethyl 3-amino-2-(methylamino)-6-(4-phenylphenyl)pyridine-4-carboxylate
PubChem CID10315680
Molecular FormulaC21H21N3O2
Molecular Weight347.42 g/mol
Exact Mass347.16
IUPAC Nameethyl 3-amino-2-(methylamino)-6-(4-phenylphenyl)pyridine-4-carboxylate
SMILESCCOC(=O)c1cc(-c2ccc(-c3ccccc3)cc2)nc(NC)c1N
InChIInChI=1S/C21H21N3O2/c1-3-26-21(25)17-13-18(24-20(23-2)19(17)22)16-11-9-15(10-12-16)14-7-5-4-6-8-14/h4-13H,3,22H2,1-2H3,(H,23,24)
InChIKeyAPPBWMHBZJCOCX-UHFFFAOYSA-N
XLogP4.22
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.42
LogP ≤ 54.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 3-amino-4-(4-methylphenyl)-6-phenylthieno[2,3-b]pyridine-2-carboxylate
CID 15681722
ethyl 2-amino-6-phenylpyridine-3-carboxylate
CID 1236695
ethyl 3-amino-4-(4-methoxyphenyl)-6-phenylthieno[2,3-b]pyridine-2-carboxylate
CID 1040515
ethyl 6-hydroxy-2-phenylquinoline-4-carboxylate
CID 67204819
ethyl 2-(methylamino)azuleno[2,1-b]pyridine-3-carboxylate
CID 19996719
ethyl 2,6-diphenylpyrimidine-4-carboxylate
CID 15372800
ethyl 6-(4-methoxycarbonylphenyl)-3-phenyl-2H-pyrazolo[3,4-b]pyridine-4-carboxylate
CID 155684834
ethyl 5-(methylamino)-3-phenyl-1,2,4-triazine-6-carboxylate
CID 6404626
ethyl 7-methyl-5-phenylpyrazolo[1,5-a]pyrimidine-3-carboxylate
CID 656076
2-oxopropyl 2-(4-phenylphenyl)quinoline-4-carboxylate
CID 3948184
ethyl 2-ethoxy-4-phenylbenzoate
CID 22494159
3-O-benzyl 4-O-ethyl 2-methyl-6-(3-methylphenyl)pyridine-3,4-dicarboxylate
CID 102497550

Frequently Asked Questions

What is the IUPAC name of ethyl 3-amino-2-(methylamino)-6-(4-phenylphenyl)pyridine-4-carboxylate?
The IUPAC name of ethyl 3-amino-2-(methylamino)-6-(4-phenylphenyl)pyridine-4-carboxylate (CID 10315680) is ethyl 3-amino-2-(methylamino)-6-(4-phenylphenyl)pyridine-4-carboxylate.
What is the SMILES notation for ethyl 3-amino-2-(methylamino)-6-(4-phenylphenyl)pyridine-4-carboxylate?
The canonical SMILES for ethyl 3-amino-2-(methylamino)-6-(4-phenylphenyl)pyridine-4-carboxylate is CCOC(=O)c1cc(-c2ccc(-c3ccccc3)cc2)nc(NC)c1N.
What is the InChIKey of ethyl 3-amino-2-(methylamino)-6-(4-phenylphenyl)pyridine-4-carboxylate?
The InChIKey is APPBWMHBZJCOCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O2/c1-3-26-21(25)17-13-18(24-20(23-2)19(17)22)16-11-9-15(10-12-16)14-7-5-4-6-8-14/h4-13H,3,22H2,1-2H3,(H,23,24).
What are the key properties of ethyl 3-amino-2-(methylamino)-6-(4-phenylphenyl)pyridine-4-carboxylate?
ethyl 3-amino-2-(methylamino)-6-(4-phenylphenyl)pyridine-4-carboxylate has a molecular weight of 347.42 g/mol, XLogP of 4.22, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-amino-2-(methylamino)-6-(4-phenylphenyl)pyridine-4-carboxylate is sourced from PubChem (CID 10315680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).