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

C18H21N3O3 — CID 3052991

IUPAC1-[propan-2-yl(pyridine-3-carbonyl)amino]propan-2-yl pyridine-3-carboxylate
SMILESCC(CN(C(=O)c1cccnc1)C(C)C)OC(=O)c1cccnc1
InChIInChI=1S/C18H21N3O3/c1-13(2)21(17(22)15-6-4-8-19-10-15)12-14(3)24-18(23)16-7-5-9-20-11-16/h4-11,13-14H,12H2,1-3H3
InChIKeyZMRWHFIYVWSASP-UHFFFAOYSA-N
MW327.38 g/mol
LogP2.57
Rot. Bonds6

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

1-[propan-2-yl(pyridine-3-carbonyl)amino]propan-2-yl pyridine-3-carboxylate (PubChem CID 3052991) has the molecular formula C18H21N3O3 and a molecular weight of 327.38 g/mol. Its IUPAC name is 1-[propan-2-yl(pyridine-3-carbonyl)amino]propan-2-yl pyridine-3-carboxylate.

Molecular Properties

Compound Name1-[propan-2-yl(pyridine-3-carbonyl)amino]propan-2-yl pyridine-3-carboxylate
PubChem CID3052991
Molecular FormulaC18H21N3O3
Molecular Weight327.38 g/mol
Exact Mass327.16
IUPAC Name1-[propan-2-yl(pyridine-3-carbonyl)amino]propan-2-yl pyridine-3-carboxylate
SMILESCC(CN(C(=O)c1cccnc1)C(C)C)OC(=O)c1cccnc1
InChIInChI=1S/C18H21N3O3/c1-13(2)21(17(22)15-6-4-8-19-10-15)12-14(3)24-18(23)16-7-5-9-20-11-16/h4-11,13-14H,12H2,1-3H3
InChIKeyZMRWHFIYVWSASP-UHFFFAOYSA-N
XLogP2.57
TPSA72.39 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.38
LogP ≤ 52.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[propan-2-yl(pyridine-3-carbonyl)amino]propan-2-yl pyridine-3-carboxylate?
The IUPAC name of 1-[propan-2-yl(pyridine-3-carbonyl)amino]propan-2-yl pyridine-3-carboxylate (CID 3052991) is 1-[propan-2-yl(pyridine-3-carbonyl)amino]propan-2-yl pyridine-3-carboxylate.
What is the SMILES notation for 1-[propan-2-yl(pyridine-3-carbonyl)amino]propan-2-yl pyridine-3-carboxylate?
The canonical SMILES for 1-[propan-2-yl(pyridine-3-carbonyl)amino]propan-2-yl pyridine-3-carboxylate is CC(CN(C(=O)c1cccnc1)C(C)C)OC(=O)c1cccnc1.
What is the InChIKey of 1-[propan-2-yl(pyridine-3-carbonyl)amino]propan-2-yl pyridine-3-carboxylate?
The InChIKey is ZMRWHFIYVWSASP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O3/c1-13(2)21(17(22)15-6-4-8-19-10-15)12-14(3)24-18(23)16-7-5-9-20-11-16/h4-11,13-14H,12H2,1-3H3.
What are the key properties of 1-[propan-2-yl(pyridine-3-carbonyl)amino]propan-2-yl pyridine-3-carboxylate?
1-[propan-2-yl(pyridine-3-carbonyl)amino]propan-2-yl pyridine-3-carboxylate has a molecular weight of 327.38 g/mol, XLogP of 2.57, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[propan-2-yl(pyridine-3-carbonyl)amino]propan-2-yl pyridine-3-carboxylate is sourced from PubChem (CID 3052991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).