1-(2-methoxyphenyl)-N,4-dimethyl-2-oxo-N-[(3-pyridin-4-yl-1,2-oxazol-5-yl)methyl]pyridine-3-carboxamide

C24H22N4O4 — CID 172661925

IUPAC1-(2-methoxyphenyl)-N,4-dimethyl-2-oxo-N-[(3-pyridin-4-yl-1,2-oxazol-5-yl)methyl]pyridine-3-carboxamide
SMILESCOc1ccccc1-n1ccc(C)c(C(=O)N(C)Cc2cc(-c3ccncc3)no2)c1=O
InChIInChI=1S/C24H22N4O4/c1-16-10-13-28(20-6-4-5-7-21(20)31-3)24(30)22(16)23(29)27(2)15-18-14-19(26-32-18)17-8-11-25-12-9-17/h4-14H,15H2,1-3H3
InChIKeyOIGCRZYKJUIOKE-UHFFFAOYSA-N
MW430.46 g/mol
LogP3.48
Rot. Bonds6

About 1-(2-methoxyphenyl)-N,4-dimethyl-2-oxo-N-[(3-pyridin-4-yl-1,2-oxazol-5-yl)methyl]pyridine-3-carboxamide

1-(2-methoxyphenyl)-N,4-dimethyl-2-oxo-N-[(3-pyridin-4-yl-1,2-oxazol-5-yl)methyl]pyridine-3-carboxamide (PubChem CID 172661925) has the molecular formula C24H22N4O4 and a molecular weight of 430.46 g/mol. Its IUPAC name is 1-(2-methoxyphenyl)-N,4-dimethyl-2-oxo-N-[(3-pyridin-4-yl-1,2-oxazol-5-yl)methyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name1-(2-methoxyphenyl)-N,4-dimethyl-2-oxo-N-[(3-pyridin-4-yl-1,2-oxazol-5-yl)methyl]pyridine-3-carboxamide
PubChem CID172661925
Molecular FormulaC24H22N4O4
Molecular Weight430.46 g/mol
Exact Mass430.16
IUPAC Name1-(2-methoxyphenyl)-N,4-dimethyl-2-oxo-N-[(3-pyridin-4-yl-1,2-oxazol-5-yl)methyl]pyridine-3-carboxamide
SMILESCOc1ccccc1-n1ccc(C)c(C(=O)N(C)Cc2cc(-c3ccncc3)no2)c1=O
InChIInChI=1S/C24H22N4O4/c1-16-10-13-28(20-6-4-5-7-21(20)31-3)24(30)22(16)23(29)27(2)15-18-14-19(26-32-18)17-8-11-25-12-9-17/h4-14H,15H2,1-3H3
InChIKeyOIGCRZYKJUIOKE-UHFFFAOYSA-N
XLogP3.48
TPSA90.46 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.46
LogP ≤ 53.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyphenyl)-N,4-dimethyl-2-oxo-N-[(3-pyridin-4-yl-1,2-oxazol-5-yl)methyl]pyridine-3-carboxamide?
The IUPAC name of 1-(2-methoxyphenyl)-N,4-dimethyl-2-oxo-N-[(3-pyridin-4-yl-1,2-oxazol-5-yl)methyl]pyridine-3-carboxamide (CID 172661925) is 1-(2-methoxyphenyl)-N,4-dimethyl-2-oxo-N-[(3-pyridin-4-yl-1,2-oxazol-5-yl)methyl]pyridine-3-carboxamide.
What is the SMILES notation for 1-(2-methoxyphenyl)-N,4-dimethyl-2-oxo-N-[(3-pyridin-4-yl-1,2-oxazol-5-yl)methyl]pyridine-3-carboxamide?
The canonical SMILES for 1-(2-methoxyphenyl)-N,4-dimethyl-2-oxo-N-[(3-pyridin-4-yl-1,2-oxazol-5-yl)methyl]pyridine-3-carboxamide is COc1ccccc1-n1ccc(C)c(C(=O)N(C)Cc2cc(-c3ccncc3)no2)c1=O.
What is the InChIKey of 1-(2-methoxyphenyl)-N,4-dimethyl-2-oxo-N-[(3-pyridin-4-yl-1,2-oxazol-5-yl)methyl]pyridine-3-carboxamide?
The InChIKey is OIGCRZYKJUIOKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N4O4/c1-16-10-13-28(20-6-4-5-7-21(20)31-3)24(30)22(16)23(29)27(2)15-18-14-19(26-32-18)17-8-11-25-12-9-17/h4-14H,15H2,1-3H3.
What are the key properties of 1-(2-methoxyphenyl)-N,4-dimethyl-2-oxo-N-[(3-pyridin-4-yl-1,2-oxazol-5-yl)methyl]pyridine-3-carboxamide?
1-(2-methoxyphenyl)-N,4-dimethyl-2-oxo-N-[(3-pyridin-4-yl-1,2-oxazol-5-yl)methyl]pyridine-3-carboxamide has a molecular weight of 430.46 g/mol, XLogP of 3.48, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyphenyl)-N,4-dimethyl-2-oxo-N-[(3-pyridin-4-yl-1,2-oxazol-5-yl)methyl]pyridine-3-carboxamide is sourced from PubChem (CID 172661925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).