N-(4-methylphenyl)-N-[2-[4-(1,3-oxazol-4-yl)anilino]-2-oxoethyl]pyridine-4-carboxamide

C24H20N4O3 — CID 58727354

IUPACN-(4-methylphenyl)-N-[2-[4-(1,3-oxazol-4-yl)anilino]-2-oxoethyl]pyridine-4-carboxamide
SMILESCc1ccc(N(CC(=O)Nc2ccc(-c3cocn3)cc2)C(=O)c2ccncc2)cc1
InChIInChI=1S/C24H20N4O3/c1-17-2-8-21(9-3-17)28(24(30)19-10-12-25-13-11-19)14-23(29)27-20-6-4-18(5-7-20)22-15-31-16-26-22/h2-13,15-16H,14H2,1H3,(H,27,29)
InChIKeyXSZLSFMIAQSPEC-UHFFFAOYSA-N
MW412.45 g/mol
LogP4.33
Rot. Bonds6

About N-(4-methylphenyl)-N-[2-[4-(1,3-oxazol-4-yl)anilino]-2-oxoethyl]pyridine-4-carboxamide

N-(4-methylphenyl)-N-[2-[4-(1,3-oxazol-4-yl)anilino]-2-oxoethyl]pyridine-4-carboxamide (PubChem CID 58727354) has the molecular formula C24H20N4O3 and a molecular weight of 412.45 g/mol. Its IUPAC name is N-(4-methylphenyl)-N-[2-[4-(1,3-oxazol-4-yl)anilino]-2-oxoethyl]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-(4-methylphenyl)-N-[2-[4-(1,3-oxazol-4-yl)anilino]-2-oxoethyl]pyridine-4-carboxamide
PubChem CID58727354
Molecular FormulaC24H20N4O3
Molecular Weight412.45 g/mol
Exact Mass412.15
IUPAC NameN-(4-methylphenyl)-N-[2-[4-(1,3-oxazol-4-yl)anilino]-2-oxoethyl]pyridine-4-carboxamide
SMILESCc1ccc(N(CC(=O)Nc2ccc(-c3cocn3)cc2)C(=O)c2ccncc2)cc1
InChIInChI=1S/C24H20N4O3/c1-17-2-8-21(9-3-17)28(24(30)19-10-12-25-13-11-19)14-23(29)27-20-6-4-18(5-7-20)22-15-31-16-26-22/h2-13,15-16H,14H2,1H3,(H,27,29)
InChIKeyXSZLSFMIAQSPEC-UHFFFAOYSA-N
XLogP4.33
TPSA88.33 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.45
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(4-methylphenyl)-N-[2-[4-(1,3-oxazol-4-yl)anilino]-2-oxoethyl]pyridine-4-carboxamide?
The IUPAC name of N-(4-methylphenyl)-N-[2-[4-(1,3-oxazol-4-yl)anilino]-2-oxoethyl]pyridine-4-carboxamide (CID 58727354) is N-(4-methylphenyl)-N-[2-[4-(1,3-oxazol-4-yl)anilino]-2-oxoethyl]pyridine-4-carboxamide.
What is the SMILES notation for N-(4-methylphenyl)-N-[2-[4-(1,3-oxazol-4-yl)anilino]-2-oxoethyl]pyridine-4-carboxamide?
The canonical SMILES for N-(4-methylphenyl)-N-[2-[4-(1,3-oxazol-4-yl)anilino]-2-oxoethyl]pyridine-4-carboxamide is Cc1ccc(N(CC(=O)Nc2ccc(-c3cocn3)cc2)C(=O)c2ccncc2)cc1.
What is the InChIKey of N-(4-methylphenyl)-N-[2-[4-(1,3-oxazol-4-yl)anilino]-2-oxoethyl]pyridine-4-carboxamide?
The InChIKey is XSZLSFMIAQSPEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20N4O3/c1-17-2-8-21(9-3-17)28(24(30)19-10-12-25-13-11-19)14-23(29)27-20-6-4-18(5-7-20)22-15-31-16-26-22/h2-13,15-16H,14H2,1H3,(H,27,29).
What are the key properties of N-(4-methylphenyl)-N-[2-[4-(1,3-oxazol-4-yl)anilino]-2-oxoethyl]pyridine-4-carboxamide?
N-(4-methylphenyl)-N-[2-[4-(1,3-oxazol-4-yl)anilino]-2-oxoethyl]pyridine-4-carboxamide has a molecular weight of 412.45 g/mol, XLogP of 4.33, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methylphenyl)-N-[2-[4-(1,3-oxazol-4-yl)anilino]-2-oxoethyl]pyridine-4-carboxamide is sourced from PubChem (CID 58727354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).