ethyl 6-[[1-(methylamino)-1-oxopropan-2-yl]amino]pyridine-3-carboxylate

C12H17N3O3 — CID 61065618

IUPACethyl 6-[[1-(methylamino)-1-oxopropan-2-yl]amino]pyridine-3-carboxylate
SMILESCCOC(=O)c1ccc(NC(C)C(=O)NC)nc1
InChIInChI=1S/C12H17N3O3/c1-4-18-12(17)9-5-6-10(14-7-9)15-8(2)11(16)13-3/h5-8H,4H2,1-3H3,(H,13,16)(H,14,15)
InChIKeyCCGCNGAJHNWIBR-UHFFFAOYSA-N
MW251.29 g/mol
LogP0.80
Rot. Bonds5

About ethyl 6-[[1-(methylamino)-1-oxopropan-2-yl]amino]pyridine-3-carboxylate

ethyl 6-[[1-(methylamino)-1-oxopropan-2-yl]amino]pyridine-3-carboxylate (PubChem CID 61065618) has the molecular formula C12H17N3O3 and a molecular weight of 251.29 g/mol. Its IUPAC name is ethyl 6-[[1-(methylamino)-1-oxopropan-2-yl]amino]pyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 6-[[1-(methylamino)-1-oxopropan-2-yl]amino]pyridine-3-carboxylate
PubChem CID61065618
Molecular FormulaC12H17N3O3
Molecular Weight251.29 g/mol
Exact Mass251.13
IUPAC Nameethyl 6-[[1-(methylamino)-1-oxopropan-2-yl]amino]pyridine-3-carboxylate
SMILESCCOC(=O)c1ccc(NC(C)C(=O)NC)nc1
InChIInChI=1S/C12H17N3O3/c1-4-18-12(17)9-5-6-10(14-7-9)15-8(2)11(16)13-3/h5-8H,4H2,1-3H3,(H,13,16)(H,14,15)
InChIKeyCCGCNGAJHNWIBR-UHFFFAOYSA-N
XLogP0.80
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.29
LogP ≤ 50.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 6-[[2-(methylamino)-2-oxoethyl]amino]pyridine-3-carboxylate
CID 43243884
N-methyl-2-[(5-methyl-2-pyridinyl)amino]propanamide
CID 61467777
ethyl 6-(2-methylbutylamino)pyridine-3-carboxylate
CID 55108410
ethyl 6-[[(1S)-1-(4-methylsulfanylphenyl)ethyl]amino]pyridine-3-carboxylate
CID 95592424
ethyl 6-[(3-hydroxy-2-methylpropyl)amino]pyridine-3-carboxylate
CID 61362810
ethyl 3-amino-4-[[1-(methylamino)-1-oxopropan-2-yl]amino]benzoate
CID 61466557
ethyl 6-(2,2-dimethylpropylamino)pyridine-3-carboxylate
CID 61166664
ethyl 6-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylamino]pyridine-3-carboxylate
CID 61064211
ethyl 6-(4-aminoanilino)pyridine-3-carboxylate
CID 63214956
ethyl 6-[1-(1,3-dimethylpyrazol-4-yl)ethylamino]pyridine-3-carboxylate
CID 122150645
6-[[1-(ethylamino)-1-oxopropan-2-yl]amino]pyridine-3-carboxylic acid
CID 54959157
ethyl 6-[[3-oxo-3-(propan-2-ylamino)propyl]amino]pyridine-3-carboxylate
CID 115579646

Frequently Asked Questions

What is the IUPAC name of ethyl 6-[[1-(methylamino)-1-oxopropan-2-yl]amino]pyridine-3-carboxylate?
The IUPAC name of ethyl 6-[[1-(methylamino)-1-oxopropan-2-yl]amino]pyridine-3-carboxylate (CID 61065618) is ethyl 6-[[1-(methylamino)-1-oxopropan-2-yl]amino]pyridine-3-carboxylate.
What is the SMILES notation for ethyl 6-[[1-(methylamino)-1-oxopropan-2-yl]amino]pyridine-3-carboxylate?
The canonical SMILES for ethyl 6-[[1-(methylamino)-1-oxopropan-2-yl]amino]pyridine-3-carboxylate is CCOC(=O)c1ccc(NC(C)C(=O)NC)nc1.
What is the InChIKey of ethyl 6-[[1-(methylamino)-1-oxopropan-2-yl]amino]pyridine-3-carboxylate?
The InChIKey is CCGCNGAJHNWIBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O3/c1-4-18-12(17)9-5-6-10(14-7-9)15-8(2)11(16)13-3/h5-8H,4H2,1-3H3,(H,13,16)(H,14,15).
What are the key properties of ethyl 6-[[1-(methylamino)-1-oxopropan-2-yl]amino]pyridine-3-carboxylate?
ethyl 6-[[1-(methylamino)-1-oxopropan-2-yl]amino]pyridine-3-carboxylate has a molecular weight of 251.29 g/mol, XLogP of 0.80, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6-[[1-(methylamino)-1-oxopropan-2-yl]amino]pyridine-3-carboxylate is sourced from PubChem (CID 61065618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).