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

C26H24N4O3 — CID 42247588

IUPACN-[3-[5-methyl-4-[[[2-(3-methylphenyl)acetyl]amino]methyl]-1,3-oxazol-2-yl]phenyl]pyridine-2-carboxamide
SMILESCc1cccc(CC(=O)NCc2nc(-c3cccc(NC(=O)c4ccccn4)c3)oc2C)c1
InChIInChI=1S/C26H24N4O3/c1-17-7-5-8-19(13-17)14-24(31)28-16-23-18(2)33-26(30-23)20-9-6-10-21(15-20)29-25(32)22-11-3-4-12-27-22/h3-13,15H,14,16H2,1-2H3,(H,28,31)(H,29,32)
InChIKeyOTPRYIBJTHNEFT-UHFFFAOYSA-N
MW440.50 g/mol
LogP4.46
Rot. Bonds7

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

N-[3-[5-methyl-4-[[[2-(3-methylphenyl)acetyl]amino]methyl]-1,3-oxazol-2-yl]phenyl]pyridine-2-carboxamide (PubChem CID 42247588) has the molecular formula C26H24N4O3 and a molecular weight of 440.50 g/mol. Its IUPAC name is N-[3-[5-methyl-4-[[[2-(3-methylphenyl)acetyl]amino]methyl]-1,3-oxazol-2-yl]phenyl]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[3-[5-methyl-4-[[[2-(3-methylphenyl)acetyl]amino]methyl]-1,3-oxazol-2-yl]phenyl]pyridine-2-carboxamide
PubChem CID42247588
Molecular FormulaC26H24N4O3
Molecular Weight440.50 g/mol
Exact Mass440.18
IUPAC NameN-[3-[5-methyl-4-[[[2-(3-methylphenyl)acetyl]amino]methyl]-1,3-oxazol-2-yl]phenyl]pyridine-2-carboxamide
SMILESCc1cccc(CC(=O)NCc2nc(-c3cccc(NC(=O)c4ccccn4)c3)oc2C)c1
InChIInChI=1S/C26H24N4O3/c1-17-7-5-8-19(13-17)14-24(31)28-16-23-18(2)33-26(30-23)20-9-6-10-21(15-20)29-25(32)22-11-3-4-12-27-22/h3-13,15H,14,16H2,1-2H3,(H,28,31)(H,29,32)
InChIKeyOTPRYIBJTHNEFT-UHFFFAOYSA-N
XLogP4.46
TPSA97.12 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.50
LogP ≤ 54.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

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Related Compounds

N-[3-[5-methyl-4-[(3-phenylprop-2-ynoylamino)methyl]-1,3-oxazol-2-yl]phenyl]pyridine-2-carboxamide
CID 42213581
N-[3-[4-[[[2-(2-chlorophenyl)acetyl]amino]methyl]-5-methyl-1,3-oxazol-2-yl]phenyl]-3-methylbutanamide
CID 118754253
N-[3-[[(2,4,5-trimethylfuran-3-carbonyl)amino]methyl]phenyl]pyridine-2-carboxamide
CID 47067341
N-[3-[5-methyl-4-[[(2-thiophen-2-ylacetyl)amino]methyl]-1,3-oxazol-2-yl]phenyl]-3-pyridin-3-ylpropanamide
CID 42467503
N-[3-[[[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetyl]amino]methyl]phenyl]cyclopropanecarboxamide
CID 30778625
1-[[2-(3-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-3-phenylurea
CID 46344183
2,5-dimethyl-N-[3-[5-methyl-4-[[[(2R)-2-methylbutanoyl]amino]methyl]-1,3-oxazol-2-yl]phenyl]furan-3-carboxamide
CID 42324291
N-[3-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]-2-(3-methylphenyl)acetamide
CID 110725681
N-[3-[5-methyl-4-[[(2-oxo-2-phenylacetyl)amino]methyl]-1,3-oxazol-2-yl]phenyl]-3-pyridin-3-ylpropanamide
CID 42165935
N-[(3,4-dimethoxyphenyl)methyl]-2-[5-methyl-2-(3-methylphenyl)-1,3-oxazol-4-yl]acetamide
CID 110412887
5-(methoxymethyl)-N-[[2-[3-[[2-(4-methoxyphenyl)acetyl]amino]phenyl]-5-methyl-1,3-oxazol-4-yl]methyl]furan-2-carboxamide
CID 42421181
2-methyl-N-[3-[5-methyl-4-[[3-(2-oxopiperidin-1-yl)propanoylamino]methyl]-1,3-oxazol-2-yl]phenyl]furan-3-carboxamide
CID 118754272

Frequently Asked Questions

What is the IUPAC name of N-[3-[5-methyl-4-[[[2-(3-methylphenyl)acetyl]amino]methyl]-1,3-oxazol-2-yl]phenyl]pyridine-2-carboxamide?
The IUPAC name of N-[3-[5-methyl-4-[[[2-(3-methylphenyl)acetyl]amino]methyl]-1,3-oxazol-2-yl]phenyl]pyridine-2-carboxamide (CID 42247588) is N-[3-[5-methyl-4-[[[2-(3-methylphenyl)acetyl]amino]methyl]-1,3-oxazol-2-yl]phenyl]pyridine-2-carboxamide.
What is the SMILES notation for N-[3-[5-methyl-4-[[[2-(3-methylphenyl)acetyl]amino]methyl]-1,3-oxazol-2-yl]phenyl]pyridine-2-carboxamide?
The canonical SMILES for N-[3-[5-methyl-4-[[[2-(3-methylphenyl)acetyl]amino]methyl]-1,3-oxazol-2-yl]phenyl]pyridine-2-carboxamide is Cc1cccc(CC(=O)NCc2nc(-c3cccc(NC(=O)c4ccccn4)c3)oc2C)c1.
What is the InChIKey of N-[3-[5-methyl-4-[[[2-(3-methylphenyl)acetyl]amino]methyl]-1,3-oxazol-2-yl]phenyl]pyridine-2-carboxamide?
The InChIKey is OTPRYIBJTHNEFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24N4O3/c1-17-7-5-8-19(13-17)14-24(31)28-16-23-18(2)33-26(30-23)20-9-6-10-21(15-20)29-25(32)22-11-3-4-12-27-22/h3-13,15H,14,16H2,1-2H3,(H,28,31)(H,29,32).
What are the key properties of N-[3-[5-methyl-4-[[[2-(3-methylphenyl)acetyl]amino]methyl]-1,3-oxazol-2-yl]phenyl]pyridine-2-carboxamide?
N-[3-[5-methyl-4-[[[2-(3-methylphenyl)acetyl]amino]methyl]-1,3-oxazol-2-yl]phenyl]pyridine-2-carboxamide has a molecular weight of 440.50 g/mol, XLogP of 4.46, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[5-methyl-4-[[[2-(3-methylphenyl)acetyl]amino]methyl]-1,3-oxazol-2-yl]phenyl]pyridine-2-carboxamide is sourced from PubChem (CID 42247588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).