2-[4-(6-amino-5-methyl-3-pyridinyl)phenyl]-N-[5-(1-methylcyclopropyl)-1,2-oxazol-3-yl]acetamide

C21H22N4O2 — CID 51030541

IUPAC2-[4-(6-amino-5-methyl-3-pyridinyl)phenyl]-N-[5-(1-methylcyclopropyl)-1,2-oxazol-3-yl]acetamide
SMILESCc1cc(-c2ccc(CC(=O)Nc3cc(C4(C)CC4)on3)cc2)cnc1N
InChIInChI=1S/C21H22N4O2/c1-13-9-16(12-23-20(13)22)15-5-3-14(4-6-15)10-19(26)24-18-11-17(27-25-18)21(2)7-8-21/h3-6,9,11-12H,7-8,10H2,1-2H3,(H2,22,23)(H,24,25,26)
InChIKeyXBNFGLVBPRDKNJ-UHFFFAOYSA-N
MW362.43 g/mol
LogP3.86
Rot. Bonds5

About 2-[4-(6-amino-5-methyl-3-pyridinyl)phenyl]-N-[5-(1-methylcyclopropyl)-1,2-oxazol-3-yl]acetamide

2-[4-(6-amino-5-methyl-3-pyridinyl)phenyl]-N-[5-(1-methylcyclopropyl)-1,2-oxazol-3-yl]acetamide (PubChem CID 51030541) has the molecular formula C21H22N4O2 and a molecular weight of 362.43 g/mol. Its IUPAC name is 2-[4-(6-amino-5-methyl-3-pyridinyl)phenyl]-N-[5-(1-methylcyclopropyl)-1,2-oxazol-3-yl]acetamide.

Molecular Properties

Compound Name2-[4-(6-amino-5-methyl-3-pyridinyl)phenyl]-N-[5-(1-methylcyclopropyl)-1,2-oxazol-3-yl]acetamide
PubChem CID51030541
Molecular FormulaC21H22N4O2
Molecular Weight362.43 g/mol
Exact Mass362.17
IUPAC Name2-[4-(6-amino-5-methyl-3-pyridinyl)phenyl]-N-[5-(1-methylcyclopropyl)-1,2-oxazol-3-yl]acetamide
SMILESCc1cc(-c2ccc(CC(=O)Nc3cc(C4(C)CC4)on3)cc2)cnc1N
InChIInChI=1S/C21H22N4O2/c1-13-9-16(12-23-20(13)22)15-5-3-14(4-6-15)10-19(26)24-18-11-17(27-25-18)21(2)7-8-21/h3-6,9,11-12H,7-8,10H2,1-2H3,(H2,22,23)(H,24,25,26)
InChIKeyXBNFGLVBPRDKNJ-UHFFFAOYSA-N
XLogP3.86
TPSA94.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.43
LogP ≤ 53.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(6-amino-5-methyl-3-pyridinyl)phenyl]-N-[5-(1-methylcyclopropyl)-1,2-oxazol-3-yl]acetamide?
The IUPAC name of 2-[4-(6-amino-5-methyl-3-pyridinyl)phenyl]-N-[5-(1-methylcyclopropyl)-1,2-oxazol-3-yl]acetamide (CID 51030541) is 2-[4-(6-amino-5-methyl-3-pyridinyl)phenyl]-N-[5-(1-methylcyclopropyl)-1,2-oxazol-3-yl]acetamide.
What is the SMILES notation for 2-[4-(6-amino-5-methyl-3-pyridinyl)phenyl]-N-[5-(1-methylcyclopropyl)-1,2-oxazol-3-yl]acetamide?
The canonical SMILES for 2-[4-(6-amino-5-methyl-3-pyridinyl)phenyl]-N-[5-(1-methylcyclopropyl)-1,2-oxazol-3-yl]acetamide is Cc1cc(-c2ccc(CC(=O)Nc3cc(C4(C)CC4)on3)cc2)cnc1N.
What is the InChIKey of 2-[4-(6-amino-5-methyl-3-pyridinyl)phenyl]-N-[5-(1-methylcyclopropyl)-1,2-oxazol-3-yl]acetamide?
The InChIKey is XBNFGLVBPRDKNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O2/c1-13-9-16(12-23-20(13)22)15-5-3-14(4-6-15)10-19(26)24-18-11-17(27-25-18)21(2)7-8-21/h3-6,9,11-12H,7-8,10H2,1-2H3,(H2,22,23)(H,24,25,26).
What are the key properties of 2-[4-(6-amino-5-methyl-3-pyridinyl)phenyl]-N-[5-(1-methylcyclopropyl)-1,2-oxazol-3-yl]acetamide?
2-[4-(6-amino-5-methyl-3-pyridinyl)phenyl]-N-[5-(1-methylcyclopropyl)-1,2-oxazol-3-yl]acetamide has a molecular weight of 362.43 g/mol, XLogP of 3.86, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(6-amino-5-methyl-3-pyridinyl)phenyl]-N-[5-(1-methylcyclopropyl)-1,2-oxazol-3-yl]acetamide is sourced from PubChem (CID 51030541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).