methyl 3-amino-2-(2-chloro-4-cyanoanilino)pyridine-4-carboxylate

C14H11ClN4O2 — CID 107809760

IUPACmethyl 3-amino-2-(2-chloro-4-cyanoanilino)pyridine-4-carboxylate
SMILESCOC(=O)c1ccnc(Nc2ccc(C#N)cc2Cl)c1N
InChIInChI=1S/C14H11ClN4O2/c1-21-14(20)9-4-5-18-13(12(9)17)19-11-3-2-8(7-16)6-10(11)15/h2-6H,17H2,1H3,(H,18,19)
InChIKeyHVCNEBFLNODVII-UHFFFAOYSA-N
MW302.72 g/mol
LogP2.72
Rot. Bonds3

About methyl 3-amino-2-(2-chloro-4-cyanoanilino)pyridine-4-carboxylate

methyl 3-amino-2-(2-chloro-4-cyanoanilino)pyridine-4-carboxylate (PubChem CID 107809760) has the molecular formula C14H11ClN4O2 and a molecular weight of 302.72 g/mol. Its IUPAC name is methyl 3-amino-2-(2-chloro-4-cyanoanilino)pyridine-4-carboxylate.

Molecular Properties

Compound Namemethyl 3-amino-2-(2-chloro-4-cyanoanilino)pyridine-4-carboxylate
PubChem CID107809760
Molecular FormulaC14H11ClN4O2
Molecular Weight302.72 g/mol
Exact Mass302.06
IUPAC Namemethyl 3-amino-2-(2-chloro-4-cyanoanilino)pyridine-4-carboxylate
SMILESCOC(=O)c1ccnc(Nc2ccc(C#N)cc2Cl)c1N
InChIInChI=1S/C14H11ClN4O2/c1-21-14(20)9-4-5-18-13(12(9)17)19-11-3-2-8(7-16)6-10(11)15/h2-6H,17H2,1H3,(H,18,19)
InChIKeyHVCNEBFLNODVII-UHFFFAOYSA-N
XLogP2.72
TPSA101.03 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.72
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 3-amino-2-(4-bromo-3-chloroanilino)pyridine-4-carboxylate
CID 107615651
methyl 2-chloro-5-cyanobenzoate
CID 16659388
4-[(5-amino-6-ethoxypyrimidin-4-yl)amino]-3-chlorobenzonitrile
CID 107806981
4-amino-N-(2-chloro-4-cyanophenyl)pyridine-2-carboxamide
CID 107810218
5-amino-2-(2-chloro-4-cyanoanilino)benzamide
CID 107809740
methyl 2-amino-3-(3-cyanoanilino)benzoate
CID 115544463
4-(2-chloro-4-cyanoanilino)pyridine-2-carboxylic acid
CID 107808817
ethyl 3-amino-2-(2-chloro-5-fluoroanilino)pyridine-4-carboxylate
CID 107531011
methyl 2-amino-3-(2,4-dichloroanilino)benzoate
CID 115544295
2-amino-N-(2-chloro-4-cyanophenyl)pyridine-4-carboxamide
CID 107810212
methyl 3-amino-2-(2,4,6-trichlorophenyl)pyridine-4-carboxylate
CID 134636559
methyl 3-(2-chloro-4-cyanoanilino)-2-methylpropanoate
CID 114003421

Frequently Asked Questions

What is the IUPAC name of methyl 3-amino-2-(2-chloro-4-cyanoanilino)pyridine-4-carboxylate?
The IUPAC name of methyl 3-amino-2-(2-chloro-4-cyanoanilino)pyridine-4-carboxylate (CID 107809760) is methyl 3-amino-2-(2-chloro-4-cyanoanilino)pyridine-4-carboxylate.
What is the SMILES notation for methyl 3-amino-2-(2-chloro-4-cyanoanilino)pyridine-4-carboxylate?
The canonical SMILES for methyl 3-amino-2-(2-chloro-4-cyanoanilino)pyridine-4-carboxylate is COC(=O)c1ccnc(Nc2ccc(C#N)cc2Cl)c1N.
What is the InChIKey of methyl 3-amino-2-(2-chloro-4-cyanoanilino)pyridine-4-carboxylate?
The InChIKey is HVCNEBFLNODVII-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClN4O2/c1-21-14(20)9-4-5-18-13(12(9)17)19-11-3-2-8(7-16)6-10(11)15/h2-6H,17H2,1H3,(H,18,19).
What are the key properties of methyl 3-amino-2-(2-chloro-4-cyanoanilino)pyridine-4-carboxylate?
methyl 3-amino-2-(2-chloro-4-cyanoanilino)pyridine-4-carboxylate has a molecular weight of 302.72 g/mol, XLogP of 2.72, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-amino-2-(2-chloro-4-cyanoanilino)pyridine-4-carboxylate is sourced from PubChem (CID 107809760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).