N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-3,6-dimethyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide

C18H20N4O3 — CID 49353846

IUPACN-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-3,6-dimethyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
SMILESCOc1c(C)cnc(CNC(=O)c2cc(C)nc3onc(C)c23)c1C
InChIInChI=1S/C18H20N4O3/c1-9-7-19-14(11(3)16(9)24-5)8-20-17(23)13-6-10(2)21-18-15(13)12(4)22-25-18/h6-7H,8H2,1-5H3,(H,20,23)
InChIKeyISKXTHZMCHLWAF-UHFFFAOYSA-N
MW340.38 g/mol
LogP2.79
Rot. Bonds4

About N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-3,6-dimethyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide

N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-3,6-dimethyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide (PubChem CID 49353846) has the molecular formula C18H20N4O3 and a molecular weight of 340.38 g/mol. Its IUPAC name is N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-3,6-dimethyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-3,6-dimethyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
PubChem CID49353846
Molecular FormulaC18H20N4O3
Molecular Weight340.38 g/mol
Exact Mass340.15
IUPAC NameN-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-3,6-dimethyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
SMILESCOc1c(C)cnc(CNC(=O)c2cc(C)nc3onc(C)c23)c1C
InChIInChI=1S/C18H20N4O3/c1-9-7-19-14(11(3)16(9)24-5)8-20-17(23)13-6-10(2)21-18-15(13)12(4)22-25-18/h6-7H,8H2,1-5H3,(H,20,23)
InChIKeyISKXTHZMCHLWAF-UHFFFAOYSA-N
XLogP2.79
TPSA90.14 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.38
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-3,6-dimethyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
The IUPAC name of N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-3,6-dimethyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide (CID 49353846) is N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-3,6-dimethyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide.
What is the SMILES notation for N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-3,6-dimethyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
The canonical SMILES for N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-3,6-dimethyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide is COc1c(C)cnc(CNC(=O)c2cc(C)nc3onc(C)c23)c1C.
What is the InChIKey of N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-3,6-dimethyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
The InChIKey is ISKXTHZMCHLWAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O3/c1-9-7-19-14(11(3)16(9)24-5)8-20-17(23)13-6-10(2)21-18-15(13)12(4)22-25-18/h6-7H,8H2,1-5H3,(H,20,23).
What are the key properties of N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-3,6-dimethyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-3,6-dimethyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide has a molecular weight of 340.38 g/mol, XLogP of 2.79, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-3,6-dimethyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide is sourced from PubChem (CID 49353846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).