ethyl 2-(4-cyano-N-methylanilino)pyridine-3-carboxylate

C16H15N3O2 — CID 62983308

IUPACethyl 2-(4-cyano-N-methylanilino)pyridine-3-carboxylate
SMILESCCOC(=O)c1cccnc1N(C)c1ccc(C#N)cc1
InChIInChI=1S/C16H15N3O2/c1-3-21-16(20)14-5-4-10-18-15(14)19(2)13-8-6-12(11-17)7-9-13/h4-10H,3H2,1-2H3
InChIKeyDJDFFSPELOHUQF-UHFFFAOYSA-N
MW281.32 g/mol
LogP2.90
Rot. Bonds4

About ethyl 2-(4-cyano-N-methylanilino)pyridine-3-carboxylate

ethyl 2-(4-cyano-N-methylanilino)pyridine-3-carboxylate (PubChem CID 62983308) has the molecular formula C16H15N3O2 and a molecular weight of 281.32 g/mol. Its IUPAC name is ethyl 2-(4-cyano-N-methylanilino)pyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 2-(4-cyano-N-methylanilino)pyridine-3-carboxylate
PubChem CID62983308
Molecular FormulaC16H15N3O2
Molecular Weight281.32 g/mol
Exact Mass281.12
IUPAC Nameethyl 2-(4-cyano-N-methylanilino)pyridine-3-carboxylate
SMILESCCOC(=O)c1cccnc1N(C)c1ccc(C#N)cc1
InChIInChI=1S/C16H15N3O2/c1-3-21-16(20)14-5-4-10-18-15(14)19(2)13-8-6-12(11-17)7-9-13/h4-10H,3H2,1-2H3
InChIKeyDJDFFSPELOHUQF-UHFFFAOYSA-N
XLogP2.90
TPSA66.22 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.32
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 2-[2,2-dimethylpropyl(methyl)amino]pyridine-3-carboxylate
CID 133469869
2-[(3-ethoxycarbonyl-2-pyridinyl)-methylamino]-2-methylpropanoic acid
CID 62819083
ethyl 2-[(2-methoxy-2-oxoethyl)-methylamino]pyridine-3-carboxylate
CID 55037918
ethyl 2-(4-cyano-2-methoxyphenoxy)pyridine-3-carboxylate
CID 47082860
ethyl 2-[(2-aminophenyl)methyl-methylamino]pyridine-3-carboxylate
CID 60868679
ethyl 2-[(4-amino-4-sulfanylidenebutan-2-yl)-methylamino]pyridine-3-carboxylate
CID 63223834
ethyl 2-[cyclopentylmethyl(methyl)amino]pyridine-3-carboxylate
CID 133469103
ethyl 2-(3-cyanoanilino)pyridine-3-carboxylate
CID 19085386
ethyl 4-(azanylidyne(113C)methyl)benzoate
CID 10442221
ethyl 2-[(2-hydroxy-3-methoxypropyl)-methylamino]pyridine-3-carboxylate
CID 54999147
ethyl 2-[(2-amino-1-cyclopropylethyl)-methylamino]pyridine-3-carboxylate
CID 116653490
2-(N-methylanilino)pyridine-3-carboxylic acid
CID 139145304

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(4-cyano-N-methylanilino)pyridine-3-carboxylate?
The IUPAC name of ethyl 2-(4-cyano-N-methylanilino)pyridine-3-carboxylate (CID 62983308) is ethyl 2-(4-cyano-N-methylanilino)pyridine-3-carboxylate.
What is the SMILES notation for ethyl 2-(4-cyano-N-methylanilino)pyridine-3-carboxylate?
The canonical SMILES for ethyl 2-(4-cyano-N-methylanilino)pyridine-3-carboxylate is CCOC(=O)c1cccnc1N(C)c1ccc(C#N)cc1.
What is the InChIKey of ethyl 2-(4-cyano-N-methylanilino)pyridine-3-carboxylate?
The InChIKey is DJDFFSPELOHUQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O2/c1-3-21-16(20)14-5-4-10-18-15(14)19(2)13-8-6-12(11-17)7-9-13/h4-10H,3H2,1-2H3.
What are the key properties of ethyl 2-(4-cyano-N-methylanilino)pyridine-3-carboxylate?
ethyl 2-(4-cyano-N-methylanilino)pyridine-3-carboxylate has a molecular weight of 281.32 g/mol, XLogP of 2.90, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(4-cyano-N-methylanilino)pyridine-3-carboxylate is sourced from PubChem (CID 62983308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).