methyl 2-(N,3-dimethylanilino)pyridine-4-carboxylate

C15H16N2O2 — CID 114075012

IUPACmethyl 2-(N,3-dimethylanilino)pyridine-4-carboxylate
SMILESCOC(=O)c1ccnc(N(C)c2cccc(C)c2)c1
InChIInChI=1S/C15H16N2O2/c1-11-5-4-6-13(9-11)17(2)14-10-12(7-8-16-14)15(18)19-3/h4-10H,1-3H3
InChIKeySCMVBIPMKKQEOX-UHFFFAOYSA-N
MW256.30 g/mol
LogP2.94
Rot. Bonds3

About methyl 2-(N,3-dimethylanilino)pyridine-4-carboxylate

methyl 2-(N,3-dimethylanilino)pyridine-4-carboxylate (PubChem CID 114075012) has the molecular formula C15H16N2O2 and a molecular weight of 256.30 g/mol. Its IUPAC name is methyl 2-(N,3-dimethylanilino)pyridine-4-carboxylate.

Molecular Properties

Compound Namemethyl 2-(N,3-dimethylanilino)pyridine-4-carboxylate
PubChem CID114075012
Molecular FormulaC15H16N2O2
Molecular Weight256.30 g/mol
Exact Mass256.12
IUPAC Namemethyl 2-(N,3-dimethylanilino)pyridine-4-carboxylate
SMILESCOC(=O)c1ccnc(N(C)c2cccc(C)c2)c1
InChIInChI=1S/C15H16N2O2/c1-11-5-4-6-13(9-11)17(2)14-10-12(7-8-16-14)15(18)19-3/h4-10H,1-3H3
InChIKeySCMVBIPMKKQEOX-UHFFFAOYSA-N
XLogP2.94
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.30
LogP ≤ 52.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-N-methyl-2-N-(3-methylphenyl)pyridine-2,4-diamine
CID 62002618
2-(N-methylanilino)pyridine-4-carboxylic acid
CID 22643369
methyl 3-(N,4-dimethylanilino)benzoate
CID 11644561
methyl 2-[bis(trideuteriomethyl)amino]pyridine-4-carboxylate
CID 155292022
methyl 2-[(3-methylbenzoyl)amino]pyridine-4-carboxylate
CID 171703679
(4-methoxycarbonylphenyl) 2-(dimethylamino)pyridine-4-carboxylate
CID 51114366
methyl 4-[[4-[ethyl-(3-methylphenyl)carbamoyl]-2-pyridinyl]amino]benzoate
CID 109178670
N,6-dimethyl-N-(3-methylphenyl)pyrimidin-4-amine
CID 143158755
2-[(4-methoxycarbonyl-2-pyridinyl)-(2-methoxyethyl)amino]acetic acid
CID 114074920
methyl 2-[butan-2-yl(butyl)amino]pyridine-4-carboxylate
CID 114075000
4-[methyl-(3-methylphenyl)carbamoyl]pyridine-2-carboxylic acid
CID 115730189
methyl 3-[[6-(N-ethyl-3-methylanilino)pyridazine-3-carbonyl]amino]benzoate
CID 109129968

Frequently Asked Questions

What is the IUPAC name of methyl 2-(N,3-dimethylanilino)pyridine-4-carboxylate?
The IUPAC name of methyl 2-(N,3-dimethylanilino)pyridine-4-carboxylate (CID 114075012) is methyl 2-(N,3-dimethylanilino)pyridine-4-carboxylate.
What is the SMILES notation for methyl 2-(N,3-dimethylanilino)pyridine-4-carboxylate?
The canonical SMILES for methyl 2-(N,3-dimethylanilino)pyridine-4-carboxylate is COC(=O)c1ccnc(N(C)c2cccc(C)c2)c1.
What is the InChIKey of methyl 2-(N,3-dimethylanilino)pyridine-4-carboxylate?
The InChIKey is SCMVBIPMKKQEOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O2/c1-11-5-4-6-13(9-11)17(2)14-10-12(7-8-16-14)15(18)19-3/h4-10H,1-3H3.
What are the key properties of methyl 2-(N,3-dimethylanilino)pyridine-4-carboxylate?
methyl 2-(N,3-dimethylanilino)pyridine-4-carboxylate has a molecular weight of 256.30 g/mol, XLogP of 2.94, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(N,3-dimethylanilino)pyridine-4-carboxylate is sourced from PubChem (CID 114075012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).