N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-3-benzyl-1,2-oxazole-5-carboxamide

C19H20N4O2 — CID 56836124

IUPACN-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-3-benzyl-1,2-oxazole-5-carboxamide
SMILESCc1cc(N)nc(C)c1CNC(=O)c1cc(Cc2ccccc2)no1
InChIInChI=1S/C19H20N4O2/c1-12-8-18(20)22-13(2)16(12)11-21-19(24)17-10-15(23-25-17)9-14-6-4-3-5-7-14/h3-8,10H,9,11H2,1-2H3,(H2,20,22)(H,21,24)
InChIKeyBAVNYPNHVRRHET-UHFFFAOYSA-N
MW336.39 g/mol
LogP2.79
Rot. Bonds5

About N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-3-benzyl-1,2-oxazole-5-carboxamide

N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-3-benzyl-1,2-oxazole-5-carboxamide (PubChem CID 56836124) has the molecular formula C19H20N4O2 and a molecular weight of 336.39 g/mol. Its IUPAC name is N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-3-benzyl-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound NameN-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-3-benzyl-1,2-oxazole-5-carboxamide
PubChem CID56836124
Molecular FormulaC19H20N4O2
Molecular Weight336.39 g/mol
Exact Mass336.16
IUPAC NameN-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-3-benzyl-1,2-oxazole-5-carboxamide
SMILESCc1cc(N)nc(C)c1CNC(=O)c1cc(Cc2ccccc2)no1
InChIInChI=1S/C19H20N4O2/c1-12-8-18(20)22-13(2)16(12)11-21-19(24)17-10-15(23-25-17)9-14-6-4-3-5-7-14/h3-8,10H,9,11H2,1-2H3,(H2,20,22)(H,21,24)
InChIKeyBAVNYPNHVRRHET-UHFFFAOYSA-N
XLogP2.79
TPSA94.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.39
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-3-benzyl-1,2-oxazole-5-carboxamide?
The IUPAC name of N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-3-benzyl-1,2-oxazole-5-carboxamide (CID 56836124) is N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-3-benzyl-1,2-oxazole-5-carboxamide.
What is the SMILES notation for N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-3-benzyl-1,2-oxazole-5-carboxamide?
The canonical SMILES for N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-3-benzyl-1,2-oxazole-5-carboxamide is Cc1cc(N)nc(C)c1CNC(=O)c1cc(Cc2ccccc2)no1.
What is the InChIKey of N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-3-benzyl-1,2-oxazole-5-carboxamide?
The InChIKey is BAVNYPNHVRRHET-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O2/c1-12-8-18(20)22-13(2)16(12)11-21-19(24)17-10-15(23-25-17)9-14-6-4-3-5-7-14/h3-8,10H,9,11H2,1-2H3,(H2,20,22)(H,21,24).
What are the key properties of N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-3-benzyl-1,2-oxazole-5-carboxamide?
N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-3-benzyl-1,2-oxazole-5-carboxamide has a molecular weight of 336.39 g/mol, XLogP of 2.79, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-3-benzyl-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 56836124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).