1-[methyl(pyridine-3-carbonyl)amino]propan-2-yl pyridine-3-carboxylate

C16H17N3O3 — CID 3052990

IUPAC1-[methyl(pyridine-3-carbonyl)amino]propan-2-yl pyridine-3-carboxylate
SMILESCC(CN(C)C(=O)c1cccnc1)OC(=O)c1cccnc1
InChIInChI=1S/C16H17N3O3/c1-12(22-16(21)14-6-4-8-18-10-14)11-19(2)15(20)13-5-3-7-17-9-13/h3-10,12H,11H2,1-2H3
InChIKeyMMSVZJULAKEUFE-UHFFFAOYSA-N
MW299.33 g/mol
LogP1.79
Rot. Bonds5

About 1-[methyl(pyridine-3-carbonyl)amino]propan-2-yl pyridine-3-carboxylate

1-[methyl(pyridine-3-carbonyl)amino]propan-2-yl pyridine-3-carboxylate (PubChem CID 3052990) has the molecular formula C16H17N3O3 and a molecular weight of 299.33 g/mol. Its IUPAC name is 1-[methyl(pyridine-3-carbonyl)amino]propan-2-yl pyridine-3-carboxylate.

Molecular Properties

Compound Name1-[methyl(pyridine-3-carbonyl)amino]propan-2-yl pyridine-3-carboxylate
PubChem CID3052990
Molecular FormulaC16H17N3O3
Molecular Weight299.33 g/mol
Exact Mass299.13
IUPAC Name1-[methyl(pyridine-3-carbonyl)amino]propan-2-yl pyridine-3-carboxylate
SMILESCC(CN(C)C(=O)c1cccnc1)OC(=O)c1cccnc1
InChIInChI=1S/C16H17N3O3/c1-12(22-16(21)14-6-4-8-18-10-14)11-19(2)15(20)13-5-3-7-17-9-13/h3-10,12H,11H2,1-2H3
InChIKeyMMSVZJULAKEUFE-UHFFFAOYSA-N
XLogP1.79
TPSA72.39 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.33
LogP ≤ 51.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[methyl(pyridine-3-carbonyl)amino]propan-2-yl pyridine-3-carboxylate?
The IUPAC name of 1-[methyl(pyridine-3-carbonyl)amino]propan-2-yl pyridine-3-carboxylate (CID 3052990) is 1-[methyl(pyridine-3-carbonyl)amino]propan-2-yl pyridine-3-carboxylate.
What is the SMILES notation for 1-[methyl(pyridine-3-carbonyl)amino]propan-2-yl pyridine-3-carboxylate?
The canonical SMILES for 1-[methyl(pyridine-3-carbonyl)amino]propan-2-yl pyridine-3-carboxylate is CC(CN(C)C(=O)c1cccnc1)OC(=O)c1cccnc1.
What is the InChIKey of 1-[methyl(pyridine-3-carbonyl)amino]propan-2-yl pyridine-3-carboxylate?
The InChIKey is MMSVZJULAKEUFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O3/c1-12(22-16(21)14-6-4-8-18-10-14)11-19(2)15(20)13-5-3-7-17-9-13/h3-10,12H,11H2,1-2H3.
What are the key properties of 1-[methyl(pyridine-3-carbonyl)amino]propan-2-yl pyridine-3-carboxylate?
1-[methyl(pyridine-3-carbonyl)amino]propan-2-yl pyridine-3-carboxylate has a molecular weight of 299.33 g/mol, XLogP of 1.79, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[methyl(pyridine-3-carbonyl)amino]propan-2-yl pyridine-3-carboxylate is sourced from PubChem (CID 3052990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).