methyl 2-methyl-6-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethylamino]pyridine-3-carboxylate

C15H23N3O4 — CID 103879996

IUPACmethyl 2-methyl-6-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethylamino]pyridine-3-carboxylate
SMILESCOC(=O)c1ccc(NCCNC(=O)OC(C)(C)C)nc1C
InChIInChI=1S/C15H23N3O4/c1-10-11(13(19)21-5)6-7-12(18-10)16-8-9-17-14(20)22-15(2,3)4/h6-7H,8-9H2,1-5H3,(H,16,18)(H,17,20)
InChIKeyJXHRFYFIMIYUDZ-UHFFFAOYSA-N
MW309.37 g/mol
LogP2.11
Rot. Bonds5

About methyl 2-methyl-6-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethylamino]pyridine-3-carboxylate

methyl 2-methyl-6-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethylamino]pyridine-3-carboxylate (PubChem CID 103879996) has the molecular formula C15H23N3O4 and a molecular weight of 309.37 g/mol. Its IUPAC name is methyl 2-methyl-6-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethylamino]pyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 2-methyl-6-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethylamino]pyridine-3-carboxylate
PubChem CID103879996
Molecular FormulaC15H23N3O4
Molecular Weight309.37 g/mol
Exact Mass309.17
IUPAC Namemethyl 2-methyl-6-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethylamino]pyridine-3-carboxylate
SMILESCOC(=O)c1ccc(NCCNC(=O)OC(C)(C)C)nc1C
InChIInChI=1S/C15H23N3O4/c1-10-11(13(19)21-5)6-7-12(18-10)16-8-9-17-14(20)22-15(2,3)4/h6-7H,8-9H2,1-5H3,(H,16,18)(H,17,20)
InChIKeyJXHRFYFIMIYUDZ-UHFFFAOYSA-N
XLogP2.11
TPSA89.55 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.37
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

tert-butyl N-[2-[(2,6-dimethyl-3-pyridinyl)amino]ethyl]carbamate
CID 115748753
methyl 2-methyl-6-[(2S)-3-[(2-methylpropan-2-yl)oxy]-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-oxopropyl]pyridine-3-carboxylate
CID 10548668
tert-butyl N-[2-[(5-fluoro-2-pyridinyl)amino]ethyl]carbamate
CID 114518182
methyl 6-[(4-amino-2-methyl-4-oxobutan-2-yl)amino]-2-methylpyridine-3-carboxylate
CID 106097210
tert-butyl N-[2-[(4-methyl-2-pyridinyl)amino]ethyl]carbamate
CID 115695358
4-methyl-2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethylamino]pyrimidine-5-carboxylic acid
CID 114518096
tert-butyl N-[2-(6,7-dihydro-5H-cyclopenta[b]pyridin-2-ylamino)ethyl]carbamate
CID 114518201
tert-butyl N-[2-[[6-chloro-4-(trifluoromethyl)-2-pyridinyl]amino]ethyl]carbamate
CID 102716232
methyl 2-methyl-6-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]pyridine-3-carboxylate
CID 103847119
methyl 2-methyl-6-(3-piperidin-1-ylpropylamino)pyridine-3-carboxylate
CID 133432183
methyl 2-methyl-6-[2-(2-methylpyrazol-3-yl)ethylamino]pyridine-3-carboxylate
CID 104695958
methyl 6-(3,3-dimethylbutan-2-ylamino)-2-methylpyridine-3-carboxylate
CID 113457844

Frequently Asked Questions

What is the IUPAC name of methyl 2-methyl-6-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethylamino]pyridine-3-carboxylate?
The IUPAC name of methyl 2-methyl-6-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethylamino]pyridine-3-carboxylate (CID 103879996) is methyl 2-methyl-6-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethylamino]pyridine-3-carboxylate.
What is the SMILES notation for methyl 2-methyl-6-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethylamino]pyridine-3-carboxylate?
The canonical SMILES for methyl 2-methyl-6-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethylamino]pyridine-3-carboxylate is COC(=O)c1ccc(NCCNC(=O)OC(C)(C)C)nc1C.
What is the InChIKey of methyl 2-methyl-6-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethylamino]pyridine-3-carboxylate?
The InChIKey is JXHRFYFIMIYUDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O4/c1-10-11(13(19)21-5)6-7-12(18-10)16-8-9-17-14(20)22-15(2,3)4/h6-7H,8-9H2,1-5H3,(H,16,18)(H,17,20).
What are the key properties of methyl 2-methyl-6-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethylamino]pyridine-3-carboxylate?
methyl 2-methyl-6-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethylamino]pyridine-3-carboxylate has a molecular weight of 309.37 g/mol, XLogP of 2.11, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-methyl-6-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethylamino]pyridine-3-carboxylate is sourced from PubChem (CID 103879996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).