methyl 1-[[1-[1-(dimethylamino)propan-2-yl]-4-methyl-2-oxopyridine-3-carbonyl]amino]cyclopropane-1-carboxylate

C17H25N3O4 — CID 172665005

IUPACmethyl 1-[[1-[1-(dimethylamino)propan-2-yl]-4-methyl-2-oxopyridine-3-carbonyl]amino]cyclopropane-1-carboxylate
SMILESCOC(=O)C1(NC(=O)c2c(C)ccn(C(C)CN(C)C)c2=O)CC1
InChIInChI=1S/C17H25N3O4/c1-11-6-9-20(12(2)10-19(3)4)15(22)13(11)14(21)18-17(7-8-17)16(23)24-5/h6,9,12H,7-8,10H2,1-5H3,(H,18,21)
InChIKeyRPOVNGVRXZDJJL-UHFFFAOYSA-N
MW335.40 g/mol
LogP0.71
Rot. Bonds6

About methyl 1-[[1-[1-(dimethylamino)propan-2-yl]-4-methyl-2-oxopyridine-3-carbonyl]amino]cyclopropane-1-carboxylate

methyl 1-[[1-[1-(dimethylamino)propan-2-yl]-4-methyl-2-oxopyridine-3-carbonyl]amino]cyclopropane-1-carboxylate (PubChem CID 172665005) has the molecular formula C17H25N3O4 and a molecular weight of 335.40 g/mol. Its IUPAC name is methyl 1-[[1-[1-(dimethylamino)propan-2-yl]-4-methyl-2-oxopyridine-3-carbonyl]amino]cyclopropane-1-carboxylate.

Molecular Properties

Compound Namemethyl 1-[[1-[1-(dimethylamino)propan-2-yl]-4-methyl-2-oxopyridine-3-carbonyl]amino]cyclopropane-1-carboxylate
PubChem CID172665005
Molecular FormulaC17H25N3O4
Molecular Weight335.40 g/mol
Exact Mass335.18
IUPAC Namemethyl 1-[[1-[1-(dimethylamino)propan-2-yl]-4-methyl-2-oxopyridine-3-carbonyl]amino]cyclopropane-1-carboxylate
SMILESCOC(=O)C1(NC(=O)c2c(C)ccn(C(C)CN(C)C)c2=O)CC1
InChIInChI=1S/C17H25N3O4/c1-11-6-9-20(12(2)10-19(3)4)15(22)13(11)14(21)18-17(7-8-17)16(23)24-5/h6,9,12H,7-8,10H2,1-5H3,(H,18,21)
InChIKeyRPOVNGVRXZDJJL-UHFFFAOYSA-N
XLogP0.71
TPSA80.64 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.40
LogP ≤ 50.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 1-[[1-[1-(dimethylamino)propan-2-yl]-4-methyl-2-oxopyridine-3-carbonyl]amino]cyclopropane-1-carboxylate?
The IUPAC name of methyl 1-[[1-[1-(dimethylamino)propan-2-yl]-4-methyl-2-oxopyridine-3-carbonyl]amino]cyclopropane-1-carboxylate (CID 172665005) is methyl 1-[[1-[1-(dimethylamino)propan-2-yl]-4-methyl-2-oxopyridine-3-carbonyl]amino]cyclopropane-1-carboxylate.
What is the SMILES notation for methyl 1-[[1-[1-(dimethylamino)propan-2-yl]-4-methyl-2-oxopyridine-3-carbonyl]amino]cyclopropane-1-carboxylate?
The canonical SMILES for methyl 1-[[1-[1-(dimethylamino)propan-2-yl]-4-methyl-2-oxopyridine-3-carbonyl]amino]cyclopropane-1-carboxylate is COC(=O)C1(NC(=O)c2c(C)ccn(C(C)CN(C)C)c2=O)CC1.
What is the InChIKey of methyl 1-[[1-[1-(dimethylamino)propan-2-yl]-4-methyl-2-oxopyridine-3-carbonyl]amino]cyclopropane-1-carboxylate?
The InChIKey is RPOVNGVRXZDJJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O4/c1-11-6-9-20(12(2)10-19(3)4)15(22)13(11)14(21)18-17(7-8-17)16(23)24-5/h6,9,12H,7-8,10H2,1-5H3,(H,18,21).
What are the key properties of methyl 1-[[1-[1-(dimethylamino)propan-2-yl]-4-methyl-2-oxopyridine-3-carbonyl]amino]cyclopropane-1-carboxylate?
methyl 1-[[1-[1-(dimethylamino)propan-2-yl]-4-methyl-2-oxopyridine-3-carbonyl]amino]cyclopropane-1-carboxylate has a molecular weight of 335.40 g/mol, XLogP of 0.71, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-[[1-[1-(dimethylamino)propan-2-yl]-4-methyl-2-oxopyridine-3-carbonyl]amino]cyclopropane-1-carboxylate is sourced from PubChem (CID 172665005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).