methyl 5-cyano-6-[(2,4-dichlorophenyl)methylamino]-2-methylpyridine-3-carboxylate

C16H13Cl2N3O2 — CID 2769101

IUPACmethyl 5-cyano-6-[(2,4-dichlorophenyl)methylamino]-2-methylpyridine-3-carboxylate
SMILESCOC(=O)c1cc(C#N)c(NCc2ccc(Cl)cc2Cl)nc1C
InChIInChI=1S/C16H13Cl2N3O2/c1-9-13(16(22)23-2)5-11(7-19)15(21-9)20-8-10-3-4-12(17)6-14(10)18/h3-6H,8H2,1-2H3,(H,20,21)
InChIKeyWCYSRLRZOWWOQI-UHFFFAOYSA-N
MW350.21 g/mol
LogP3.97
Rot. Bonds4

About methyl 5-cyano-6-[(2,4-dichlorophenyl)methylamino]-2-methylpyridine-3-carboxylate

methyl 5-cyano-6-[(2,4-dichlorophenyl)methylamino]-2-methylpyridine-3-carboxylate (PubChem CID 2769101) has the molecular formula C16H13Cl2N3O2 and a molecular weight of 350.21 g/mol. Its IUPAC name is methyl 5-cyano-6-[(2,4-dichlorophenyl)methylamino]-2-methylpyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 5-cyano-6-[(2,4-dichlorophenyl)methylamino]-2-methylpyridine-3-carboxylate
PubChem CID2769101
Molecular FormulaC16H13Cl2N3O2
Molecular Weight350.21 g/mol
Exact Mass349.04
IUPAC Namemethyl 5-cyano-6-[(2,4-dichlorophenyl)methylamino]-2-methylpyridine-3-carboxylate
SMILESCOC(=O)c1cc(C#N)c(NCc2ccc(Cl)cc2Cl)nc1C
InChIInChI=1S/C16H13Cl2N3O2/c1-9-13(16(22)23-2)5-11(7-19)15(21-9)20-8-10-3-4-12(17)6-14(10)18/h3-6H,8H2,1-2H3,(H,20,21)
InChIKeyWCYSRLRZOWWOQI-UHFFFAOYSA-N
XLogP3.97
TPSA75.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.21
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

Methyl 6-(benzylamino)-5-cyano-2-methylnicotinate
CID 1471725
Ethyl 6-(4-{[(2-chlorobenzyl)amino]carbonyl}piperazin-1-yl)-5-cyano-2-(trifluoro-methyl)nicotinate
CID 24752271
Ethyl 5-cyano-6-(4-{[(3,4-dichlorobenzyl)amino]carbonyl}piperazin-1-yl)-2-(trifluoromethyl)nicotinate
CID 24752421
Ethyl 6-(butylamino)-5-cyano-2-phenylnicotinate
CID 3393240
Ethyl 5-cyano-2-phenyl-6-(propylamino)pyridine-3-carboxylate
CID 3644194
Ethyl 6-(allylamino)-5-cyano-2-phenylnicotinate
CID 3841301
Ethyl 5-cyano-2-methyl-6-[(phenylmethyl)amino]-3-pyridinecarboxylate
CID 663782
Methyl 6-[benzyl(methyl)amino]-5-cyano-2-methylpyridine-3-carboxylate
CID 2769097
2-(2,6-Dichloro-3-methylanilino)pyridine-3-carboxylate
CID 29566442
Ethyl 6-amino-5-[(2-chlorophenyl)methyl]-2-methylpyridine-3-carboxylate
CID 134833239
Ethyl 6-(3-chloroanilino)-5-cyano-2-(trifluoromethyl)pyridine-3-carboxylate
CID 2746323
Ethyl 6-[4-(4-chlorobenzoyl)piperazin-1-yl]-5-cyano-2-(trifluoromethyl)pyridine-3-carboxylate
CID 2746545

Frequently Asked Questions

What is the IUPAC name of methyl 5-cyano-6-[(2,4-dichlorophenyl)methylamino]-2-methylpyridine-3-carboxylate?
The IUPAC name of methyl 5-cyano-6-[(2,4-dichlorophenyl)methylamino]-2-methylpyridine-3-carboxylate (CID 2769101) is methyl 5-cyano-6-[(2,4-dichlorophenyl)methylamino]-2-methylpyridine-3-carboxylate.
What is the SMILES notation for methyl 5-cyano-6-[(2,4-dichlorophenyl)methylamino]-2-methylpyridine-3-carboxylate?
The canonical SMILES for methyl 5-cyano-6-[(2,4-dichlorophenyl)methylamino]-2-methylpyridine-3-carboxylate is COC(=O)c1cc(C#N)c(NCc2ccc(Cl)cc2Cl)nc1C.
What is the InChIKey of methyl 5-cyano-6-[(2,4-dichlorophenyl)methylamino]-2-methylpyridine-3-carboxylate?
The InChIKey is WCYSRLRZOWWOQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13Cl2N3O2/c1-9-13(16(22)23-2)5-11(7-19)15(21-9)20-8-10-3-4-12(17)6-14(10)18/h3-6H,8H2,1-2H3,(H,20,21).
What are the key properties of methyl 5-cyano-6-[(2,4-dichlorophenyl)methylamino]-2-methylpyridine-3-carboxylate?
methyl 5-cyano-6-[(2,4-dichlorophenyl)methylamino]-2-methylpyridine-3-carboxylate has a molecular weight of 350.21 g/mol, XLogP of 3.97, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-cyano-6-[(2,4-dichlorophenyl)methylamino]-2-methylpyridine-3-carboxylate is sourced from PubChem (CID 2769101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).