N-[3-[4-[[(3,5-dimethylbenzoyl)amino]methyl]-5-methyl-1,3-oxazol-2-yl]phenyl]pyridine-2-carboxamide

C26H24N4O3 — CID 42330589

IUPACN-[3-[4-[[(3,5-dimethylbenzoyl)amino]methyl]-5-methyl-1,3-oxazol-2-yl]phenyl]pyridine-2-carboxamide
SMILESCc1cc(C)cc(C(=O)NCc2nc(-c3cccc(NC(=O)c4ccccn4)c3)oc2C)c1
InChIInChI=1S/C26H24N4O3/c1-16-11-17(2)13-20(12-16)24(31)28-15-23-18(3)33-26(30-23)19-7-6-8-21(14-19)29-25(32)22-9-4-5-10-27-22/h4-14H,15H2,1-3H3,(H,28,31)(H,29,32)
InChIKeyHPVVIOBKLBEUMP-UHFFFAOYSA-N
MW440.50 g/mol
LogP4.84
Rot. Bonds6

About N-[3-[4-[[(3,5-dimethylbenzoyl)amino]methyl]-5-methyl-1,3-oxazol-2-yl]phenyl]pyridine-2-carboxamide

N-[3-[4-[[(3,5-dimethylbenzoyl)amino]methyl]-5-methyl-1,3-oxazol-2-yl]phenyl]pyridine-2-carboxamide (PubChem CID 42330589) has the molecular formula C26H24N4O3 and a molecular weight of 440.50 g/mol. Its IUPAC name is N-[3-[4-[[(3,5-dimethylbenzoyl)amino]methyl]-5-methyl-1,3-oxazol-2-yl]phenyl]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[3-[4-[[(3,5-dimethylbenzoyl)amino]methyl]-5-methyl-1,3-oxazol-2-yl]phenyl]pyridine-2-carboxamide
PubChem CID42330589
Molecular FormulaC26H24N4O3
Molecular Weight440.50 g/mol
Exact Mass440.18
IUPAC NameN-[3-[4-[[(3,5-dimethylbenzoyl)amino]methyl]-5-methyl-1,3-oxazol-2-yl]phenyl]pyridine-2-carboxamide
SMILESCc1cc(C)cc(C(=O)NCc2nc(-c3cccc(NC(=O)c4ccccn4)c3)oc2C)c1
InChIInChI=1S/C26H24N4O3/c1-16-11-17(2)13-20(12-16)24(31)28-15-23-18(3)33-26(30-23)19-7-6-8-21(14-19)29-25(32)22-9-4-5-10-27-22/h4-14H,15H2,1-3H3,(H,28,31)(H,29,32)
InChIKeyHPVVIOBKLBEUMP-UHFFFAOYSA-N
XLogP4.84
TPSA97.12 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.50
LogP ≤ 54.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[3-[4-[[(3,5-dimethylbenzoyl)amino]methyl]-5-methyl-1,3-oxazol-2-yl]phenyl]pyridine-2-carboxamide with MolForge

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Related Compounds

3-(4-(Phenoxymethyl)phenyl)-1-(5-(pyridin-2-yl)oxazol-2-yl)propan-1-one
CID 16736226
1-Oxo-1-[5-(2-pyridyl)oxazol-2-yl]-3-(4-phenoxyphenyl)propane
CID 16735161
1-Oxo-1-[5-(2-pyridyl)oxazol-2-yl]-3-(4-benzylphenyl)propane
CID 16735162
1-Oxo-1-[5-(2-pyridyl)oxazol-2-yl]-7-(3-hexylphenyl)heptane
CID 16735350
7-(4-Aminophenyl)-1-[5-(pyridin-2-yl)-1,3-oxazol-2-yl]heptan-1-one
CID 16735384
1-Oxo-1-[5-(2-pyridyl)oxazol-2-yl]-7-(3-(tert-butyloxycarbonyl)aminophenyl)hept-6-yne
CID 16735619
3-[4-(Phenylamino)phenyl]-1-[5-(pyridin-2-yl)-1,3-oxazol-2-yl]propan-1-one
CID 16736227
7-(3-Aminophenyl)-1-[5-(pyridin-2-yl)-1,3-oxazol-2-yl]heptan-1-one
CID 16736438
tert-butyl N-(3-{7-oxo-7-[5-(pyridin-2-yl)-1,3-oxazol-2-yl]heptyl}phenyl)carbamate
CID 16736439
1-Oxo-1-[5-(2-pyridyl)oxazol-2-yl]-7-(m-tolyl)heptane
CID 16736619
3-(Methyl(3-phenylpropyl)amino)-1-(5-(pyridin-2-yl)oxazol-2-yl)propan-1-one
CID 16738148
Phenylpropanoic acid derivative, 66
CID 44263426

Frequently Asked Questions

What is the IUPAC name of N-[3-[4-[[(3,5-dimethylbenzoyl)amino]methyl]-5-methyl-1,3-oxazol-2-yl]phenyl]pyridine-2-carboxamide?
The IUPAC name of N-[3-[4-[[(3,5-dimethylbenzoyl)amino]methyl]-5-methyl-1,3-oxazol-2-yl]phenyl]pyridine-2-carboxamide (CID 42330589) is N-[3-[4-[[(3,5-dimethylbenzoyl)amino]methyl]-5-methyl-1,3-oxazol-2-yl]phenyl]pyridine-2-carboxamide.
What is the SMILES notation for N-[3-[4-[[(3,5-dimethylbenzoyl)amino]methyl]-5-methyl-1,3-oxazol-2-yl]phenyl]pyridine-2-carboxamide?
The canonical SMILES for N-[3-[4-[[(3,5-dimethylbenzoyl)amino]methyl]-5-methyl-1,3-oxazol-2-yl]phenyl]pyridine-2-carboxamide is Cc1cc(C)cc(C(=O)NCc2nc(-c3cccc(NC(=O)c4ccccn4)c3)oc2C)c1.
What is the InChIKey of N-[3-[4-[[(3,5-dimethylbenzoyl)amino]methyl]-5-methyl-1,3-oxazol-2-yl]phenyl]pyridine-2-carboxamide?
The InChIKey is HPVVIOBKLBEUMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24N4O3/c1-16-11-17(2)13-20(12-16)24(31)28-15-23-18(3)33-26(30-23)19-7-6-8-21(14-19)29-25(32)22-9-4-5-10-27-22/h4-14H,15H2,1-3H3,(H,28,31)(H,29,32).
What are the key properties of N-[3-[4-[[(3,5-dimethylbenzoyl)amino]methyl]-5-methyl-1,3-oxazol-2-yl]phenyl]pyridine-2-carboxamide?
N-[3-[4-[[(3,5-dimethylbenzoyl)amino]methyl]-5-methyl-1,3-oxazol-2-yl]phenyl]pyridine-2-carboxamide has a molecular weight of 440.50 g/mol, XLogP of 4.84, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[4-[[(3,5-dimethylbenzoyl)amino]methyl]-5-methyl-1,3-oxazol-2-yl]phenyl]pyridine-2-carboxamide is sourced from PubChem (CID 42330589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).