[2-[methyl(pyridine-2-carbonyl)amino]-1-phenylpropyl] pyridine-2-carboxylate

C22H21N3O3 — CID 42629143

IUPAC[2-[methyl(pyridine-2-carbonyl)amino]-1-phenylpropyl] pyridine-2-carboxylate
SMILESCC(C(OC(=O)c1ccccn1)c1ccccc1)N(C)C(=O)c1ccccn1
InChIInChI=1S/C22H21N3O3/c1-16(25(2)21(26)18-12-6-8-14-23-18)20(17-10-4-3-5-11-17)28-22(27)19-13-7-9-15-24-19/h3-16,20H,1-2H3
InChIKeyPINWEVXZOZCWDU-UHFFFAOYSA-N
MW375.43 g/mol
LogP3.54
Rot. Bonds6

About [2-[methyl(pyridine-2-carbonyl)amino]-1-phenylpropyl] pyridine-2-carboxylate

[2-[methyl(pyridine-2-carbonyl)amino]-1-phenylpropyl] pyridine-2-carboxylate (PubChem CID 42629143) has the molecular formula C22H21N3O3 and a molecular weight of 375.43 g/mol. Its IUPAC name is [2-[methyl(pyridine-2-carbonyl)amino]-1-phenylpropyl] pyridine-2-carboxylate.

Molecular Properties

Compound Name[2-[methyl(pyridine-2-carbonyl)amino]-1-phenylpropyl] pyridine-2-carboxylate
PubChem CID42629143
Molecular FormulaC22H21N3O3
Molecular Weight375.43 g/mol
Exact Mass375.16
IUPAC Name[2-[methyl(pyridine-2-carbonyl)amino]-1-phenylpropyl] pyridine-2-carboxylate
SMILESCC(C(OC(=O)c1ccccn1)c1ccccc1)N(C)C(=O)c1ccccn1
InChIInChI=1S/C22H21N3O3/c1-16(25(2)21(26)18-12-6-8-14-23-18)20(17-10-4-3-5-11-17)28-22(27)19-13-7-9-15-24-19/h3-16,20H,1-2H3
InChIKeyPINWEVXZOZCWDU-UHFFFAOYSA-N
XLogP3.54
TPSA72.39 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.43
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [2-[methyl(pyridine-2-carbonyl)amino]-1-phenylpropyl] pyridine-2-carboxylate?
The IUPAC name of [2-[methyl(pyridine-2-carbonyl)amino]-1-phenylpropyl] pyridine-2-carboxylate (CID 42629143) is [2-[methyl(pyridine-2-carbonyl)amino]-1-phenylpropyl] pyridine-2-carboxylate.
What is the SMILES notation for [2-[methyl(pyridine-2-carbonyl)amino]-1-phenylpropyl] pyridine-2-carboxylate?
The canonical SMILES for [2-[methyl(pyridine-2-carbonyl)amino]-1-phenylpropyl] pyridine-2-carboxylate is CC(C(OC(=O)c1ccccn1)c1ccccc1)N(C)C(=O)c1ccccn1.
What is the InChIKey of [2-[methyl(pyridine-2-carbonyl)amino]-1-phenylpropyl] pyridine-2-carboxylate?
The InChIKey is PINWEVXZOZCWDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N3O3/c1-16(25(2)21(26)18-12-6-8-14-23-18)20(17-10-4-3-5-11-17)28-22(27)19-13-7-9-15-24-19/h3-16,20H,1-2H3.
What are the key properties of [2-[methyl(pyridine-2-carbonyl)amino]-1-phenylpropyl] pyridine-2-carboxylate?
[2-[methyl(pyridine-2-carbonyl)amino]-1-phenylpropyl] pyridine-2-carboxylate has a molecular weight of 375.43 g/mol, XLogP of 3.54, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[methyl(pyridine-2-carbonyl)amino]-1-phenylpropyl] pyridine-2-carboxylate is sourced from PubChem (CID 42629143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).