dimethyl 6-amino-1-[5-chloro-2-(2H-tetrazol-5-yl)phenyl]-5-cyano-4-phenyl-4H-pyridine-2,3-dicarboxylate

C23H18ClN7O4 — CID 168641524

IUPACdimethyl 6-amino-1-[5-chloro-2-(2H-tetrazol-5-yl)phenyl]-5-cyano-4-phenyl-4H-pyridine-2,3-dicarboxylate
SMILESCOC(=O)C1=C(C(=O)OC)N(c2cc(Cl)ccc2-c2nn[nH]n2)C(N)=C(C#N)C1c1ccccc1
InChIInChI=1S/C23H18ClN7O4/c1-34-22(32)18-17(12-6-4-3-5-7-12)15(11-25)20(26)31(19(18)23(33)35-2)16-10-13(24)8-9-14(16)21-27-29-30-28-21/h3-10,17H,26H2,1-2H3,(H,27,28,29,30)
InChIKeyNLAZQWCHNZCWCJ-UHFFFAOYSA-N
MW491.90 g/mol
LogP2.42
Rot. Bonds5

About dimethyl 6-amino-1-[5-chloro-2-(2H-tetrazol-5-yl)phenyl]-5-cyano-4-phenyl-4H-pyridine-2,3-dicarboxylate

dimethyl 6-amino-1-[5-chloro-2-(2H-tetrazol-5-yl)phenyl]-5-cyano-4-phenyl-4H-pyridine-2,3-dicarboxylate (PubChem CID 168641524) has the molecular formula C23H18ClN7O4 and a molecular weight of 491.90 g/mol. Its IUPAC name is dimethyl 6-amino-1-[5-chloro-2-(2H-tetrazol-5-yl)phenyl]-5-cyano-4-phenyl-4H-pyridine-2,3-dicarboxylate.

Molecular Properties

Compound Namedimethyl 6-amino-1-[5-chloro-2-(2H-tetrazol-5-yl)phenyl]-5-cyano-4-phenyl-4H-pyridine-2,3-dicarboxylate
PubChem CID168641524
Molecular FormulaC23H18ClN7O4
Molecular Weight491.90 g/mol
Exact Mass491.11
IUPAC Namedimethyl 6-amino-1-[5-chloro-2-(2H-tetrazol-5-yl)phenyl]-5-cyano-4-phenyl-4H-pyridine-2,3-dicarboxylate
SMILESCOC(=O)C1=C(C(=O)OC)N(c2cc(Cl)ccc2-c2nn[nH]n2)C(N)=C(C#N)C1c1ccccc1
InChIInChI=1S/C23H18ClN7O4/c1-34-22(32)18-17(12-6-4-3-5-7-12)15(11-25)20(26)31(19(18)23(33)35-2)16-10-13(24)8-9-14(16)21-27-29-30-28-21/h3-10,17H,26H2,1-2H3,(H,27,28,29,30)
InChIKeyNLAZQWCHNZCWCJ-UHFFFAOYSA-N
XLogP2.42
TPSA160.11 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500491.90
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Analyze dimethyl 6-amino-1-[5-chloro-2-(2H-tetrazol-5-yl)phenyl]-5-cyano-4-phenyl-4H-pyridine-2,3-dicarboxylate with MolForge

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Launch Full Analysis

Related Compounds

dimethyl 6-amino-1-(4-chloro-2-methoxycarbonylphenyl)-5-cyano-4-phenyl-4H-pyridine-2,3-dicarboxylate
CID 168645484
dimethyl 6-amino-1-(5-chloro-2,3-difluorophenyl)-5-cyano-4-phenyl-4H-pyridine-2,3-dicarboxylate
CID 168645677
dimethyl 6-amino-5-cyano-1-(3,4-dichlorophenyl)-4-phenyl-4H-pyridine-2,3-dicarboxylate
CID 168600937
3-[2-amino-3-cyano-5,6-bis(methoxycarbonyl)-4-phenyl-4H-pyridin-1-yl]-4-chlorobenzoic acid
CID 168645645
3-[2-amino-3-cyano-5,6-bis(methoxycarbonyl)-4-phenyl-4H-pyridin-1-yl]-4,5-dichlorobenzoic acid
CID 168642547
dimethyl 6-amino-5-cyano-1-(2,3-dichloro-4-fluorophenyl)-4-phenyl-4H-pyridine-2,3-dicarboxylate
CID 168641576
dimethyl 6-amino-1-(4-chloro-5-fluoro-2-hydroxyphenyl)-5-cyano-4-phenyl-4H-pyridine-2,3-dicarboxylate
CID 168644281
dimethyl 6-amino-5-cyano-1-(2-ethylphenyl)-4-phenyl-4H-pyridine-2,3-dicarboxylate
CID 168643443
dimethyl 6-amino-1-(2-chloro-4-methylphenyl)-5-cyano-4-phenyl-4H-pyridine-2,3-dicarboxylate
CID 168600929
dimethyl 6-amino-1-(4-bromo-2-chlorophenyl)-5-cyano-4-phenyl-4H-pyridine-2,3-dicarboxylate
CID 168600916
dimethyl 6-amino-1-(5-chloro-4-cyano-2-iodophenyl)-5-cyano-4-phenyl-4H-pyridine-2,3-dicarboxylate
CID 168644904
dimethyl 6-amino-1-(4-carbonochloridoylphenyl)-5-cyano-4-phenyl-4H-pyridine-2,3-dicarboxylate
CID 168644691

Frequently Asked Questions

What is the IUPAC name of dimethyl 6-amino-1-[5-chloro-2-(2H-tetrazol-5-yl)phenyl]-5-cyano-4-phenyl-4H-pyridine-2,3-dicarboxylate?
The IUPAC name of dimethyl 6-amino-1-[5-chloro-2-(2H-tetrazol-5-yl)phenyl]-5-cyano-4-phenyl-4H-pyridine-2,3-dicarboxylate (CID 168641524) is dimethyl 6-amino-1-[5-chloro-2-(2H-tetrazol-5-yl)phenyl]-5-cyano-4-phenyl-4H-pyridine-2,3-dicarboxylate.
What is the SMILES notation for dimethyl 6-amino-1-[5-chloro-2-(2H-tetrazol-5-yl)phenyl]-5-cyano-4-phenyl-4H-pyridine-2,3-dicarboxylate?
The canonical SMILES for dimethyl 6-amino-1-[5-chloro-2-(2H-tetrazol-5-yl)phenyl]-5-cyano-4-phenyl-4H-pyridine-2,3-dicarboxylate is COC(=O)C1=C(C(=O)OC)N(c2cc(Cl)ccc2-c2nn[nH]n2)C(N)=C(C#N)C1c1ccccc1.
What is the InChIKey of dimethyl 6-amino-1-[5-chloro-2-(2H-tetrazol-5-yl)phenyl]-5-cyano-4-phenyl-4H-pyridine-2,3-dicarboxylate?
The InChIKey is NLAZQWCHNZCWCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18ClN7O4/c1-34-22(32)18-17(12-6-4-3-5-7-12)15(11-25)20(26)31(19(18)23(33)35-2)16-10-13(24)8-9-14(16)21-27-29-30-28-21/h3-10,17H,26H2,1-2H3,(H,27,28,29,30).
What are the key properties of dimethyl 6-amino-1-[5-chloro-2-(2H-tetrazol-5-yl)phenyl]-5-cyano-4-phenyl-4H-pyridine-2,3-dicarboxylate?
dimethyl 6-amino-1-[5-chloro-2-(2H-tetrazol-5-yl)phenyl]-5-cyano-4-phenyl-4H-pyridine-2,3-dicarboxylate has a molecular weight of 491.90 g/mol, XLogP of 2.42, 5 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl 6-amino-1-[5-chloro-2-(2H-tetrazol-5-yl)phenyl]-5-cyano-4-phenyl-4H-pyridine-2,3-dicarboxylate is sourced from PubChem (CID 168641524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).