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

C17H19N3O3 — CID 3052985

IUPAC2-[propan-2-yl(pyridine-3-carbonyl)amino]ethyl pyridine-3-carboxylate
SMILESCC(C)N(CCOC(=O)c1cccnc1)C(=O)c1cccnc1
InChIInChI=1S/C17H19N3O3/c1-13(2)20(16(21)14-5-3-7-18-11-14)9-10-23-17(22)15-6-4-8-19-12-15/h3-8,11-13H,9-10H2,1-2H3
InChIKeyDPETXKOQVWNRPO-UHFFFAOYSA-N
MW313.36 g/mol
LogP2.18
Rot. Bonds6

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

2-[propan-2-yl(pyridine-3-carbonyl)amino]ethyl pyridine-3-carboxylate (PubChem CID 3052985) has the molecular formula C17H19N3O3 and a molecular weight of 313.36 g/mol. Its IUPAC name is 2-[propan-2-yl(pyridine-3-carbonyl)amino]ethyl pyridine-3-carboxylate.

Molecular Properties

Compound Name2-[propan-2-yl(pyridine-3-carbonyl)amino]ethyl pyridine-3-carboxylate
PubChem CID3052985
Molecular FormulaC17H19N3O3
Molecular Weight313.36 g/mol
Exact Mass313.14
IUPAC Name2-[propan-2-yl(pyridine-3-carbonyl)amino]ethyl pyridine-3-carboxylate
SMILESCC(C)N(CCOC(=O)c1cccnc1)C(=O)c1cccnc1
InChIInChI=1S/C17H19N3O3/c1-13(2)20(16(21)14-5-3-7-18-11-14)9-10-23-17(22)15-6-4-8-19-12-15/h3-8,11-13H,9-10H2,1-2H3
InChIKeyDPETXKOQVWNRPO-UHFFFAOYSA-N
XLogP2.18
TPSA72.39 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.36
LogP ≤ 52.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[propan-2-yl(pyridine-3-carbonyl)amino]ethyl pyridine-3-carboxylate?
The IUPAC name of 2-[propan-2-yl(pyridine-3-carbonyl)amino]ethyl pyridine-3-carboxylate (CID 3052985) is 2-[propan-2-yl(pyridine-3-carbonyl)amino]ethyl pyridine-3-carboxylate.
What is the SMILES notation for 2-[propan-2-yl(pyridine-3-carbonyl)amino]ethyl pyridine-3-carboxylate?
The canonical SMILES for 2-[propan-2-yl(pyridine-3-carbonyl)amino]ethyl pyridine-3-carboxylate is CC(C)N(CCOC(=O)c1cccnc1)C(=O)c1cccnc1.
What is the InChIKey of 2-[propan-2-yl(pyridine-3-carbonyl)amino]ethyl pyridine-3-carboxylate?
The InChIKey is DPETXKOQVWNRPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O3/c1-13(2)20(16(21)14-5-3-7-18-11-14)9-10-23-17(22)15-6-4-8-19-12-15/h3-8,11-13H,9-10H2,1-2H3.
What are the key properties of 2-[propan-2-yl(pyridine-3-carbonyl)amino]ethyl pyridine-3-carboxylate?
2-[propan-2-yl(pyridine-3-carbonyl)amino]ethyl pyridine-3-carboxylate has a molecular weight of 313.36 g/mol, XLogP of 2.18, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[propan-2-yl(pyridine-3-carbonyl)amino]ethyl pyridine-3-carboxylate is sourced from PubChem (CID 3052985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).