methyl 2-(6-acetamido-2-pyridinyl)-6-methylpyridine-4-carboxylate

C15H15N3O3 — CID 164675449

IUPACmethyl 2-(6-acetamido-2-pyridinyl)-6-methylpyridine-4-carboxylate
SMILESCOC(=O)c1cc(C)nc(-c2cccc(NC(C)=O)n2)c1
InChIInChI=1S/C15H15N3O3/c1-9-7-11(15(20)21-3)8-13(16-9)12-5-4-6-14(18-12)17-10(2)19/h4-8H,1-3H3,(H,17,18,19)
InChIKeyINNNZZNSFPAJOD-UHFFFAOYSA-N
MW285.30 g/mol
LogP2.20
Rot. Bonds3

About methyl 2-(6-acetamido-2-pyridinyl)-6-methylpyridine-4-carboxylate

methyl 2-(6-acetamido-2-pyridinyl)-6-methylpyridine-4-carboxylate (PubChem CID 164675449) has the molecular formula C15H15N3O3 and a molecular weight of 285.30 g/mol. Its IUPAC name is methyl 2-(6-acetamido-2-pyridinyl)-6-methylpyridine-4-carboxylate.

Molecular Properties

Compound Namemethyl 2-(6-acetamido-2-pyridinyl)-6-methylpyridine-4-carboxylate
PubChem CID164675449
Molecular FormulaC15H15N3O3
Molecular Weight285.30 g/mol
Exact Mass285.11
IUPAC Namemethyl 2-(6-acetamido-2-pyridinyl)-6-methylpyridine-4-carboxylate
SMILESCOC(=O)c1cc(C)nc(-c2cccc(NC(C)=O)n2)c1
InChIInChI=1S/C15H15N3O3/c1-9-7-11(15(20)21-3)8-13(16-9)12-5-4-6-14(18-12)17-10(2)19/h4-8H,1-3H3,(H,17,18,19)
InChIKeyINNNZZNSFPAJOD-UHFFFAOYSA-N
XLogP2.20
TPSA81.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.30
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

Ethyl 2,6-dimethyl-5-[(4-methylpyridin-2-yl)carbamoylamino]pyridine-3-carboxylate
CID 2341879
Ethyl 4-{[(6-methylpyridin-2-yl)carbamothioyl]amino}benzoate
CID 3342377
Methyl 2-({[(4,6-dimethyl-2-pyridinyl)amino]carbonyl}amino)benzoate
CID 971446
Ethyl 4-[(6-methylpyridin-2-yl)carbamoylamino]benzoate
CID 6469443
Methyl 2-(1-piperazinyl)-4-quinolinecarboxylate hydrochloride
CID 2965223
Methyl 2-piperazinylquinoline-4-carboxylate
CID 544649
Ethyl 4-({[(4,6-dimethyl-2-pyridinyl)amino]carbonyl}amino)benzoate
CID 6469761
US11072585, Example 109
CID 122516883
Methyl 3-[[4-(aminomethyl)-6-(trifluoromethyl)pyridin-2-yl]carbamoyl]benzoate;2,2,2-trifluoroacetic acid
CID 132253101
Benzoic acid, 3-(6-amino-3-methyl-2-pyridinyl)-, 1,1-dimethylethyl ester
CID 45480517
Methyl 3-[(6-methylpyridin-2-yl)carbamoyl]-5-nitrobenzoate
CID 690592
Ethyl 2,6-dimethyl-5-(pyridin-2-ylcarbamoylamino)pyridine-3-carboxylate
CID 975530

Frequently Asked Questions

What is the IUPAC name of methyl 2-(6-acetamido-2-pyridinyl)-6-methylpyridine-4-carboxylate?
The IUPAC name of methyl 2-(6-acetamido-2-pyridinyl)-6-methylpyridine-4-carboxylate (CID 164675449) is methyl 2-(6-acetamido-2-pyridinyl)-6-methylpyridine-4-carboxylate.
What is the SMILES notation for methyl 2-(6-acetamido-2-pyridinyl)-6-methylpyridine-4-carboxylate?
The canonical SMILES for methyl 2-(6-acetamido-2-pyridinyl)-6-methylpyridine-4-carboxylate is COC(=O)c1cc(C)nc(-c2cccc(NC(C)=O)n2)c1.
What is the InChIKey of methyl 2-(6-acetamido-2-pyridinyl)-6-methylpyridine-4-carboxylate?
The InChIKey is INNNZZNSFPAJOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O3/c1-9-7-11(15(20)21-3)8-13(16-9)12-5-4-6-14(18-12)17-10(2)19/h4-8H,1-3H3,(H,17,18,19).
What are the key properties of methyl 2-(6-acetamido-2-pyridinyl)-6-methylpyridine-4-carboxylate?
methyl 2-(6-acetamido-2-pyridinyl)-6-methylpyridine-4-carboxylate has a molecular weight of 285.30 g/mol, XLogP of 2.20, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(6-acetamido-2-pyridinyl)-6-methylpyridine-4-carboxylate is sourced from PubChem (CID 164675449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).