[2-[benzyl(pyridine-3-carbonyl)amino]-2-methylpropyl] pyridine-3-carboxylate

C23H23N3O3 — CID 13222039

IUPAC[2-[benzyl(pyridine-3-carbonyl)amino]-2-methylpropyl] pyridine-3-carboxylate
SMILESCC(C)(COC(=O)c1cccnc1)N(Cc1ccccc1)C(=O)c1cccnc1
InChIInChI=1S/C23H23N3O3/c1-23(2,17-29-22(28)20-11-7-13-25-15-20)26(16-18-8-4-3-5-9-18)21(27)19-10-6-12-24-14-19/h3-15H,16-17H2,1-2H3
InChIKeyCFQCPFALHPZURX-UHFFFAOYSA-N
MW389.46 g/mol
LogP3.75
Rot. Bonds7

About [2-[benzyl(pyridine-3-carbonyl)amino]-2-methylpropyl] pyridine-3-carboxylate

[2-[benzyl(pyridine-3-carbonyl)amino]-2-methylpropyl] pyridine-3-carboxylate (PubChem CID 13222039) has the molecular formula C23H23N3O3 and a molecular weight of 389.46 g/mol. Its IUPAC name is [2-[benzyl(pyridine-3-carbonyl)amino]-2-methylpropyl] pyridine-3-carboxylate.

Molecular Properties

Compound Name[2-[benzyl(pyridine-3-carbonyl)amino]-2-methylpropyl] pyridine-3-carboxylate
PubChem CID13222039
Molecular FormulaC23H23N3O3
Molecular Weight389.46 g/mol
Exact Mass389.17
IUPAC Name[2-[benzyl(pyridine-3-carbonyl)amino]-2-methylpropyl] pyridine-3-carboxylate
SMILESCC(C)(COC(=O)c1cccnc1)N(Cc1ccccc1)C(=O)c1cccnc1
InChIInChI=1S/C23H23N3O3/c1-23(2,17-29-22(28)20-11-7-13-25-15-20)26(16-18-8-4-3-5-9-18)21(27)19-10-6-12-24-14-19/h3-15H,16-17H2,1-2H3
InChIKeyCFQCPFALHPZURX-UHFFFAOYSA-N
XLogP3.75
TPSA72.39 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.46
LogP ≤ 53.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [2-[benzyl(pyridine-3-carbonyl)amino]-2-methylpropyl] pyridine-3-carboxylate?
The IUPAC name of [2-[benzyl(pyridine-3-carbonyl)amino]-2-methylpropyl] pyridine-3-carboxylate (CID 13222039) is [2-[benzyl(pyridine-3-carbonyl)amino]-2-methylpropyl] pyridine-3-carboxylate.
What is the SMILES notation for [2-[benzyl(pyridine-3-carbonyl)amino]-2-methylpropyl] pyridine-3-carboxylate?
The canonical SMILES for [2-[benzyl(pyridine-3-carbonyl)amino]-2-methylpropyl] pyridine-3-carboxylate is CC(C)(COC(=O)c1cccnc1)N(Cc1ccccc1)C(=O)c1cccnc1.
What is the InChIKey of [2-[benzyl(pyridine-3-carbonyl)amino]-2-methylpropyl] pyridine-3-carboxylate?
The InChIKey is CFQCPFALHPZURX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N3O3/c1-23(2,17-29-22(28)20-11-7-13-25-15-20)26(16-18-8-4-3-5-9-18)21(27)19-10-6-12-24-14-19/h3-15H,16-17H2,1-2H3.
What are the key properties of [2-[benzyl(pyridine-3-carbonyl)amino]-2-methylpropyl] pyridine-3-carboxylate?
[2-[benzyl(pyridine-3-carbonyl)amino]-2-methylpropyl] pyridine-3-carboxylate has a molecular weight of 389.46 g/mol, XLogP of 3.75, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[benzyl(pyridine-3-carbonyl)amino]-2-methylpropyl] pyridine-3-carboxylate is sourced from PubChem (CID 13222039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).