ethyl 5-acetyl-2-(methylamino)pyridine-3-carboxylate

C11H14N2O3 — CID 70396007

IUPACethyl 5-acetyl-2-(methylamino)pyridine-3-carboxylate
SMILESCCOC(=O)c1cc(C(C)=O)cnc1NC
InChIInChI=1S/C11H14N2O3/c1-4-16-11(15)9-5-8(7(2)14)6-13-10(9)12-3/h5-6H,4H2,1-3H3,(H,12,13)
InChIKeyPPOJKYHRLSJKFQ-UHFFFAOYSA-N
MW222.24 g/mol
LogP1.50
Rot. Bonds4

About ethyl 5-acetyl-2-(methylamino)pyridine-3-carboxylate

ethyl 5-acetyl-2-(methylamino)pyridine-3-carboxylate (PubChem CID 70396007) has the molecular formula C11H14N2O3 and a molecular weight of 222.24 g/mol. Its IUPAC name is ethyl 5-acetyl-2-(methylamino)pyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 5-acetyl-2-(methylamino)pyridine-3-carboxylate
PubChem CID70396007
Molecular FormulaC11H14N2O3
Molecular Weight222.24 g/mol
Exact Mass222.10
IUPAC Nameethyl 5-acetyl-2-(methylamino)pyridine-3-carboxylate
SMILESCCOC(=O)c1cc(C(C)=O)cnc1NC
InChIInChI=1S/C11H14N2O3/c1-4-16-11(15)9-5-8(7(2)14)6-13-10(9)12-3/h5-6H,4H2,1-3H3,(H,12,13)
InChIKeyPPOJKYHRLSJKFQ-UHFFFAOYSA-N
XLogP1.50
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.24
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 6-chloro-3-(methylamino)pyridazine-4-carboxylate
CID 77231539
6-amino-5-ethoxycarbonylpyridine-3-carboxylic acid
CID 170903103
ethyl 5-(2-hydroxybenzoyl)-2-(2-phenylethylamino)pyridine-3-carboxylate
CID 142747696
ethyl 5-bromo-2-ethoxy-6-(methylamino)pyridine-3-carboxylate
CID 10870395
ethyl 5-amino-2-(3-methylpentan-3-ylamino)pyridine-3-carboxylate
CID 106331106
ethyl 6-chloro-4-(methylamino)pyridine-3-carboxylate
CID 20627001
ethyl 5-acetyl-2-methoxybenzoate
CID 97035919
ethyl 4-amino-2-(methylamino)pyrimidine-5-carboxylate
CID 116646909
ethyl 4-(chloromethyl)-2-(methylamino)pyrimidine-5-carboxylate
CID 102973317
ethyl 5-(2-hydroxybenzoyl)-2-(3-methoxyanilino)pyridine-3-carboxylate
CID 142747669
ethyl 4-chloro-5-methanimidoyl-6-(methylamino)pyridine-3-carboxylate
CID 145130777
ethyl 2-(methylamino)azuleno[2,1-b]pyridine-3-carboxylate
CID 19996719

Frequently Asked Questions

What is the IUPAC name of ethyl 5-acetyl-2-(methylamino)pyridine-3-carboxylate?
The IUPAC name of ethyl 5-acetyl-2-(methylamino)pyridine-3-carboxylate (CID 70396007) is ethyl 5-acetyl-2-(methylamino)pyridine-3-carboxylate.
What is the SMILES notation for ethyl 5-acetyl-2-(methylamino)pyridine-3-carboxylate?
The canonical SMILES for ethyl 5-acetyl-2-(methylamino)pyridine-3-carboxylate is CCOC(=O)c1cc(C(C)=O)cnc1NC.
What is the InChIKey of ethyl 5-acetyl-2-(methylamino)pyridine-3-carboxylate?
The InChIKey is PPOJKYHRLSJKFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O3/c1-4-16-11(15)9-5-8(7(2)14)6-13-10(9)12-3/h5-6H,4H2,1-3H3,(H,12,13).
What are the key properties of ethyl 5-acetyl-2-(methylamino)pyridine-3-carboxylate?
ethyl 5-acetyl-2-(methylamino)pyridine-3-carboxylate has a molecular weight of 222.24 g/mol, XLogP of 1.50, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-acetyl-2-(methylamino)pyridine-3-carboxylate is sourced from PubChem (CID 70396007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).