methyl 2-(propanoylamino)pyridine-4-carboxylate

C10H12N2O3 — CID 67508364

IUPACmethyl 2-(propanoylamino)pyridine-4-carboxylate
SMILESCCC(=O)Nc1cc(C(=O)OC)ccn1
InChIInChI=1S/C10H12N2O3/c1-3-9(13)12-8-6-7(4-5-11-8)10(14)15-2/h4-6H,3H2,1-2H3,(H,11,12,13)
InChIKeyNYESQEPDCIBHFE-UHFFFAOYSA-N
MW208.22 g/mol
LogP1.22
Rot. Bonds3

About methyl 2-(propanoylamino)pyridine-4-carboxylate

methyl 2-(propanoylamino)pyridine-4-carboxylate (PubChem CID 67508364) has the molecular formula C10H12N2O3 and a molecular weight of 208.22 g/mol. Its IUPAC name is methyl 2-(propanoylamino)pyridine-4-carboxylate.

Molecular Properties

Compound Namemethyl 2-(propanoylamino)pyridine-4-carboxylate
PubChem CID67508364
Molecular FormulaC10H12N2O3
Molecular Weight208.22 g/mol
Exact Mass208.08
IUPAC Namemethyl 2-(propanoylamino)pyridine-4-carboxylate
SMILESCCC(=O)Nc1cc(C(=O)OC)ccn1
InChIInChI=1S/C10H12N2O3/c1-3-9(13)12-8-6-7(4-5-11-8)10(14)15-2/h4-6H,3H2,1-2H3,(H,11,12,13)
InChIKeyNYESQEPDCIBHFE-UHFFFAOYSA-N
XLogP1.22
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.22
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-(1-bromoethylcarbamoylamino)pyridine-4-carboxylate
CID 143854974
methyl 2-(phosphanylamino)pyridine-4-carboxylate
CID 22084632
methyl 2-[[2-(3,4,5-trimethoxyphenyl)acetyl]amino]pyridine-4-carboxylate
CID 155916138
methyl 2-(butan-2-ylamino)pyridine-4-carboxylate
CID 68814423
methyl 2-[[(2S)-butan-2-yl]amino]pyridine-4-carboxylate
CID 68814422
2-[(4-methoxycarbonyl-2-pyridinyl)amino]acetic acid
CID 83834716
methyl 2-(trideuteriomethylamino)pyridine-4-carboxylate
CID 155292007
methyl 2-(2-aminoethylamino)pyridine-4-carboxylate
CID 83830934
methyl 2-[[1-hydroxy-2-(hydroxymethyl)butan-2-yl]amino]pyridine-4-carboxylate
CID 114075125
methyl 2-[(3-methylbenzoyl)amino]pyridine-4-carboxylate
CID 171703679
ethyl 2-[[2-(2-methoxyethoxy)acetyl]amino]pyridine-4-carboxylate
CID 108731992
ethane;methyl 2-ethylpyridine-4-carboxylate
CID 144656237

Frequently Asked Questions

What is the IUPAC name of methyl 2-(propanoylamino)pyridine-4-carboxylate?
The IUPAC name of methyl 2-(propanoylamino)pyridine-4-carboxylate (CID 67508364) is methyl 2-(propanoylamino)pyridine-4-carboxylate.
What is the SMILES notation for methyl 2-(propanoylamino)pyridine-4-carboxylate?
The canonical SMILES for methyl 2-(propanoylamino)pyridine-4-carboxylate is CCC(=O)Nc1cc(C(=O)OC)ccn1.
What is the InChIKey of methyl 2-(propanoylamino)pyridine-4-carboxylate?
The InChIKey is NYESQEPDCIBHFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O3/c1-3-9(13)12-8-6-7(4-5-11-8)10(14)15-2/h4-6H,3H2,1-2H3,(H,11,12,13).
What are the key properties of methyl 2-(propanoylamino)pyridine-4-carboxylate?
methyl 2-(propanoylamino)pyridine-4-carboxylate has a molecular weight of 208.22 g/mol, XLogP of 1.22, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(propanoylamino)pyridine-4-carboxylate is sourced from PubChem (CID 67508364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).