N-[[3-[5-[(5-tert-butyl-2-methoxybenzoyl)amino]-2-methylphenyl]-1,2-oxazol-5-yl]methyl]pyridine-3-carboxamide

C29H30N4O4 — CID 24880973

IUPACN-[[3-[5-[(5-tert-butyl-2-methoxybenzoyl)amino]-2-methylphenyl]-1,2-oxazol-5-yl]methyl]pyridine-3-carboxamide
SMILESCOc1ccc(C(C)(C)C)cc1C(=O)Nc1ccc(C)c(-c2cc(CNC(=O)c3cccnc3)on2)c1
InChIInChI=1S/C29H30N4O4/c1-18-8-10-21(32-28(35)24-13-20(29(2,3)4)9-11-26(24)36-5)14-23(18)25-15-22(37-33-25)17-31-27(34)19-7-6-12-30-16-19/h6-16H,17H2,1-5H3,(H,31,34)(H,32,35)
InChIKeyIQEWTEYWHLORAX-UHFFFAOYSA-N
MW498.58 g/mol
LogP5.53
Rot. Bonds7

About N-[[3-[5-[(5-tert-butyl-2-methoxybenzoyl)amino]-2-methylphenyl]-1,2-oxazol-5-yl]methyl]pyridine-3-carboxamide

N-[[3-[5-[(5-tert-butyl-2-methoxybenzoyl)amino]-2-methylphenyl]-1,2-oxazol-5-yl]methyl]pyridine-3-carboxamide (PubChem CID 24880973) has the molecular formula C29H30N4O4 and a molecular weight of 498.58 g/mol. Its IUPAC name is N-[[3-[5-[(5-tert-butyl-2-methoxybenzoyl)amino]-2-methylphenyl]-1,2-oxazol-5-yl]methyl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[[3-[5-[(5-tert-butyl-2-methoxybenzoyl)amino]-2-methylphenyl]-1,2-oxazol-5-yl]methyl]pyridine-3-carboxamide
PubChem CID24880973
Molecular FormulaC29H30N4O4
Molecular Weight498.58 g/mol
Exact Mass498.23
IUPAC NameN-[[3-[5-[(5-tert-butyl-2-methoxybenzoyl)amino]-2-methylphenyl]-1,2-oxazol-5-yl]methyl]pyridine-3-carboxamide
SMILESCOc1ccc(C(C)(C)C)cc1C(=O)Nc1ccc(C)c(-c2cc(CNC(=O)c3cccnc3)on2)c1
InChIInChI=1S/C29H30N4O4/c1-18-8-10-21(32-28(35)24-13-20(29(2,3)4)9-11-26(24)36-5)14-23(18)25-15-22(37-33-25)17-31-27(34)19-7-6-12-30-16-19/h6-16H,17H2,1-5H3,(H,31,34)(H,32,35)
InChIKeyIQEWTEYWHLORAX-UHFFFAOYSA-N
XLogP5.53
TPSA106.35 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500498.58
LogP ≤ 55.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-[[3-[5-[(5-tert-butyl-2-methoxybenzoyl)amino]-2-methylphenyl]-1,2-oxazol-5-yl]methyl]pyridine-3-carboxamide with MolForge

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Related Compounds

N-[[3-[5-[(5-tert-butyl-2-methoxybenzoyl)amino]-2-methylphenyl]-1,2-oxazol-5-yl]methyl]furan-2-carboxamide
CID 24880404
N-[[3-(2-methoxyphenyl)-1,2-oxazol-5-yl]methyl]pyridine-3-carboxamide
CID 138465234
5-tert-butyl-2-methoxy-N-[6-methyl-5-[4-(pyridin-3-ylmethylcarbamoyl)phenyl]-3-pyridinyl]benzamide
CID 24937958
N-[3-[[(4-tert-butylbenzoyl)amino]methyl]phenyl]pyridine-3-carboxamide
CID 108926353
5-tert-butyl-N-(furan-2-ylmethyl)-2-methoxybenzamide
CID 110761322
N-(3-chloro-4-methoxyphenyl)pyridine-3-carboxamide
CID 731708
4-tert-butyl-N-[2-[4-methoxy-3-(pyridin-3-ylmethoxy)anilino]-2-oxoethyl]benzamide
CID 55645199
N-[(2-methoxy-4,6-dimethylphenyl)methyl]pyridine-3-carboxamide;hydrochloride
CID 110784884
N-[(4-tert-butylphenyl)methyl]pyridine-3-carboxamide;hydrochloride
CID 110779584
3-(5-chloro-2-methoxyphenyl)-N-[2-(pyridine-3-carbonylamino)ethyl]-1,2,4-oxadiazole-5-carboxamide
CID 16765835
N-[(2,4,6-trimethoxyphenyl)methyl]pyridine-3-carboxamide
CID 110784319
N-(3,4-dimethoxyphenyl)-6-(pyridin-3-ylmethylamino)pyridine-3-carboxamide
CID 109157890

Frequently Asked Questions

What is the IUPAC name of N-[[3-[5-[(5-tert-butyl-2-methoxybenzoyl)amino]-2-methylphenyl]-1,2-oxazol-5-yl]methyl]pyridine-3-carboxamide?
The IUPAC name of N-[[3-[5-[(5-tert-butyl-2-methoxybenzoyl)amino]-2-methylphenyl]-1,2-oxazol-5-yl]methyl]pyridine-3-carboxamide (CID 24880973) is N-[[3-[5-[(5-tert-butyl-2-methoxybenzoyl)amino]-2-methylphenyl]-1,2-oxazol-5-yl]methyl]pyridine-3-carboxamide.
What is the SMILES notation for N-[[3-[5-[(5-tert-butyl-2-methoxybenzoyl)amino]-2-methylphenyl]-1,2-oxazol-5-yl]methyl]pyridine-3-carboxamide?
The canonical SMILES for N-[[3-[5-[(5-tert-butyl-2-methoxybenzoyl)amino]-2-methylphenyl]-1,2-oxazol-5-yl]methyl]pyridine-3-carboxamide is COc1ccc(C(C)(C)C)cc1C(=O)Nc1ccc(C)c(-c2cc(CNC(=O)c3cccnc3)on2)c1.
What is the InChIKey of N-[[3-[5-[(5-tert-butyl-2-methoxybenzoyl)amino]-2-methylphenyl]-1,2-oxazol-5-yl]methyl]pyridine-3-carboxamide?
The InChIKey is IQEWTEYWHLORAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H30N4O4/c1-18-8-10-21(32-28(35)24-13-20(29(2,3)4)9-11-26(24)36-5)14-23(18)25-15-22(37-33-25)17-31-27(34)19-7-6-12-30-16-19/h6-16H,17H2,1-5H3,(H,31,34)(H,32,35).
What are the key properties of N-[[3-[5-[(5-tert-butyl-2-methoxybenzoyl)amino]-2-methylphenyl]-1,2-oxazol-5-yl]methyl]pyridine-3-carboxamide?
N-[[3-[5-[(5-tert-butyl-2-methoxybenzoyl)amino]-2-methylphenyl]-1,2-oxazol-5-yl]methyl]pyridine-3-carboxamide has a molecular weight of 498.58 g/mol, XLogP of 5.53, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-[5-[(5-tert-butyl-2-methoxybenzoyl)amino]-2-methylphenyl]-1,2-oxazol-5-yl]methyl]pyridine-3-carboxamide is sourced from PubChem (CID 24880973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).