N-(5-methyl-1,2-oxazol-3-yl)-2-oxo-1-[2-oxo-2-[1-(4-propan-2-ylphenyl)ethylamino]ethyl]pyridine-3-carboxamide

C23H26N4O4 — CID 110246752

IUPACN-(5-methyl-1,2-oxazol-3-yl)-2-oxo-1-[2-oxo-2-[1-(4-propan-2-ylphenyl)ethylamino]ethyl]pyridine-3-carboxamide
SMILESCc1cc(NC(=O)c2cccn(CC(=O)NC(C)c3ccc(C(C)C)cc3)c2=O)no1
InChIInChI=1S/C23H26N4O4/c1-14(2)17-7-9-18(10-8-17)16(4)24-21(28)13-27-11-5-6-19(23(27)30)22(29)25-20-12-15(3)31-26-20/h5-12,14,16H,13H2,1-4H3,(H,24,28)(H,25,26,29)
InChIKeyNKYQGOIKWQOJPZ-UHFFFAOYSA-N
MW422.49 g/mol
LogP3.40
Rot. Bonds7

About N-(5-methyl-1,2-oxazol-3-yl)-2-oxo-1-[2-oxo-2-[1-(4-propan-2-ylphenyl)ethylamino]ethyl]pyridine-3-carboxamide

N-(5-methyl-1,2-oxazol-3-yl)-2-oxo-1-[2-oxo-2-[1-(4-propan-2-ylphenyl)ethylamino]ethyl]pyridine-3-carboxamide (PubChem CID 110246752) has the molecular formula C23H26N4O4 and a molecular weight of 422.49 g/mol. Its IUPAC name is N-(5-methyl-1,2-oxazol-3-yl)-2-oxo-1-[2-oxo-2-[1-(4-propan-2-ylphenyl)ethylamino]ethyl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(5-methyl-1,2-oxazol-3-yl)-2-oxo-1-[2-oxo-2-[1-(4-propan-2-ylphenyl)ethylamino]ethyl]pyridine-3-carboxamide
PubChem CID110246752
Molecular FormulaC23H26N4O4
Molecular Weight422.49 g/mol
Exact Mass422.20
IUPAC NameN-(5-methyl-1,2-oxazol-3-yl)-2-oxo-1-[2-oxo-2-[1-(4-propan-2-ylphenyl)ethylamino]ethyl]pyridine-3-carboxamide
SMILESCc1cc(NC(=O)c2cccn(CC(=O)NC(C)c3ccc(C(C)C)cc3)c2=O)no1
InChIInChI=1S/C23H26N4O4/c1-14(2)17-7-9-18(10-8-17)16(4)24-21(28)13-27-11-5-6-19(23(27)30)22(29)25-20-12-15(3)31-26-20/h5-12,14,16H,13H2,1-4H3,(H,24,28)(H,25,26,29)
InChIKeyNKYQGOIKWQOJPZ-UHFFFAOYSA-N
XLogP3.40
TPSA106.23 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.49
LogP ≤ 53.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(5-methyl-1,2-oxazol-3-yl)-2-oxo-1-[2-oxo-2-[1-(4-propan-2-ylphenyl)ethylamino]ethyl]pyridine-3-carboxamide?
The IUPAC name of N-(5-methyl-1,2-oxazol-3-yl)-2-oxo-1-[2-oxo-2-[1-(4-propan-2-ylphenyl)ethylamino]ethyl]pyridine-3-carboxamide (CID 110246752) is N-(5-methyl-1,2-oxazol-3-yl)-2-oxo-1-[2-oxo-2-[1-(4-propan-2-ylphenyl)ethylamino]ethyl]pyridine-3-carboxamide.
What is the SMILES notation for N-(5-methyl-1,2-oxazol-3-yl)-2-oxo-1-[2-oxo-2-[1-(4-propan-2-ylphenyl)ethylamino]ethyl]pyridine-3-carboxamide?
The canonical SMILES for N-(5-methyl-1,2-oxazol-3-yl)-2-oxo-1-[2-oxo-2-[1-(4-propan-2-ylphenyl)ethylamino]ethyl]pyridine-3-carboxamide is Cc1cc(NC(=O)c2cccn(CC(=O)NC(C)c3ccc(C(C)C)cc3)c2=O)no1.
What is the InChIKey of N-(5-methyl-1,2-oxazol-3-yl)-2-oxo-1-[2-oxo-2-[1-(4-propan-2-ylphenyl)ethylamino]ethyl]pyridine-3-carboxamide?
The InChIKey is NKYQGOIKWQOJPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O4/c1-14(2)17-7-9-18(10-8-17)16(4)24-21(28)13-27-11-5-6-19(23(27)30)22(29)25-20-12-15(3)31-26-20/h5-12,14,16H,13H2,1-4H3,(H,24,28)(H,25,26,29).
What are the key properties of N-(5-methyl-1,2-oxazol-3-yl)-2-oxo-1-[2-oxo-2-[1-(4-propan-2-ylphenyl)ethylamino]ethyl]pyridine-3-carboxamide?
N-(5-methyl-1,2-oxazol-3-yl)-2-oxo-1-[2-oxo-2-[1-(4-propan-2-ylphenyl)ethylamino]ethyl]pyridine-3-carboxamide has a molecular weight of 422.49 g/mol, XLogP of 3.40, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-methyl-1,2-oxazol-3-yl)-2-oxo-1-[2-oxo-2-[1-(4-propan-2-ylphenyl)ethylamino]ethyl]pyridine-3-carboxamide is sourced from PubChem (CID 110246752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).