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

C23H23N5O2 — CID 58081230

IUPACN-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-2-[(2-methylquinolin-6-yl)methyl]-1,3-oxazole-4-carboxamide
SMILESCc1ccc2cc(Cc3nc(C(=O)NCc4c(C)cc(N)nc4C)co3)ccc2n1
InChIInChI=1S/C23H23N5O2/c1-13-8-21(24)27-15(3)18(13)11-25-23(29)20-12-30-22(28-20)10-16-5-7-19-17(9-16)6-4-14(2)26-19/h4-9,12H,10-11H2,1-3H3,(H2,24,27)(H,25,29)
InChIKeyDCCOZLDILLONDD-UHFFFAOYSA-N
MW401.47 g/mol
LogP3.65
Rot. Bonds5

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

N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-2-[(2-methylquinolin-6-yl)methyl]-1,3-oxazole-4-carboxamide (PubChem CID 58081230) has the molecular formula C23H23N5O2 and a molecular weight of 401.47 g/mol. Its IUPAC name is N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-2-[(2-methylquinolin-6-yl)methyl]-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-2-[(2-methylquinolin-6-yl)methyl]-1,3-oxazole-4-carboxamide
PubChem CID58081230
Molecular FormulaC23H23N5O2
Molecular Weight401.47 g/mol
Exact Mass401.19
IUPAC NameN-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-2-[(2-methylquinolin-6-yl)methyl]-1,3-oxazole-4-carboxamide
SMILESCc1ccc2cc(Cc3nc(C(=O)NCc4c(C)cc(N)nc4C)co3)ccc2n1
InChIInChI=1S/C23H23N5O2/c1-13-8-21(24)27-15(3)18(13)11-25-23(29)20-12-30-22(28-20)10-16-5-7-19-17(9-16)6-4-14(2)26-19/h4-9,12H,10-11H2,1-3H3,(H2,24,27)(H,25,29)
InChIKeyDCCOZLDILLONDD-UHFFFAOYSA-N
XLogP3.65
TPSA106.93 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.47
LogP ≤ 53.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-2-[(2-methylquinolin-6-yl)methyl]-1,3-oxazole-4-carboxamide?
The IUPAC name of N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-2-[(2-methylquinolin-6-yl)methyl]-1,3-oxazole-4-carboxamide (CID 58081230) is N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-2-[(2-methylquinolin-6-yl)methyl]-1,3-oxazole-4-carboxamide.
What is the SMILES notation for N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-2-[(2-methylquinolin-6-yl)methyl]-1,3-oxazole-4-carboxamide?
The canonical SMILES for N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-2-[(2-methylquinolin-6-yl)methyl]-1,3-oxazole-4-carboxamide is Cc1ccc2cc(Cc3nc(C(=O)NCc4c(C)cc(N)nc4C)co3)ccc2n1.
What is the InChIKey of N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-2-[(2-methylquinolin-6-yl)methyl]-1,3-oxazole-4-carboxamide?
The InChIKey is DCCOZLDILLONDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N5O2/c1-13-8-21(24)27-15(3)18(13)11-25-23(29)20-12-30-22(28-20)10-16-5-7-19-17(9-16)6-4-14(2)26-19/h4-9,12H,10-11H2,1-3H3,(H2,24,27)(H,25,29).
What are the key properties of N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-2-[(2-methylquinolin-6-yl)methyl]-1,3-oxazole-4-carboxamide?
N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-2-[(2-methylquinolin-6-yl)methyl]-1,3-oxazole-4-carboxamide has a molecular weight of 401.47 g/mol, XLogP of 3.65, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-2-[(2-methylquinolin-6-yl)methyl]-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 58081230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).