N-(6-chloro-2-propan-2-yloxy-3-pyridinyl)-6,6-dimethyl-4-oxo-5,7-dihydrofuro[3,2-c]pyridine-3-carboxamide

C18H20ClN3O4 — CID 118252903

IUPACN-(6-chloro-2-propan-2-yloxy-3-pyridinyl)-6,6-dimethyl-4-oxo-5,7-dihydrofuro[3,2-c]pyridine-3-carboxamide
SMILESCC(C)Oc1nc(Cl)ccc1NC(=O)c1coc2c1C(=O)NC(C)(C)C2
InChIInChI=1S/C18H20ClN3O4/c1-9(2)26-17-11(5-6-13(19)21-17)20-15(23)10-8-25-12-7-18(3,4)22-16(24)14(10)12/h5-6,8-9H,7H2,1-4H3,(H,20,23)(H,22,24)
InChIKeyVISWMJZTJFRCGD-UHFFFAOYSA-N
MW377.83 g/mol
LogP3.43
Rot. Bonds4

About N-(6-chloro-2-propan-2-yloxy-3-pyridinyl)-6,6-dimethyl-4-oxo-5,7-dihydrofuro[3,2-c]pyridine-3-carboxamide

N-(6-chloro-2-propan-2-yloxy-3-pyridinyl)-6,6-dimethyl-4-oxo-5,7-dihydrofuro[3,2-c]pyridine-3-carboxamide (PubChem CID 118252903) has the molecular formula C18H20ClN3O4 and a molecular weight of 377.83 g/mol. Its IUPAC name is N-(6-chloro-2-propan-2-yloxy-3-pyridinyl)-6,6-dimethyl-4-oxo-5,7-dihydrofuro[3,2-c]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(6-chloro-2-propan-2-yloxy-3-pyridinyl)-6,6-dimethyl-4-oxo-5,7-dihydrofuro[3,2-c]pyridine-3-carboxamide
PubChem CID118252903
Molecular FormulaC18H20ClN3O4
Molecular Weight377.83 g/mol
Exact Mass377.11
IUPAC NameN-(6-chloro-2-propan-2-yloxy-3-pyridinyl)-6,6-dimethyl-4-oxo-5,7-dihydrofuro[3,2-c]pyridine-3-carboxamide
SMILESCC(C)Oc1nc(Cl)ccc1NC(=O)c1coc2c1C(=O)NC(C)(C)C2
InChIInChI=1S/C18H20ClN3O4/c1-9(2)26-17-11(5-6-13(19)21-17)20-15(23)10-8-25-12-7-18(3,4)22-16(24)14(10)12/h5-6,8-9H,7H2,1-4H3,(H,20,23)(H,22,24)
InChIKeyVISWMJZTJFRCGD-UHFFFAOYSA-N
XLogP3.43
TPSA93.46 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.83
LogP ≤ 53.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(6-chloro-2-propan-2-yloxy-3-pyridinyl)-6,6-dimethyl-4-oxo-5,7-dihydrofuro[3,2-c]pyridine-3-carboxamide?
The IUPAC name of N-(6-chloro-2-propan-2-yloxy-3-pyridinyl)-6,6-dimethyl-4-oxo-5,7-dihydrofuro[3,2-c]pyridine-3-carboxamide (CID 118252903) is N-(6-chloro-2-propan-2-yloxy-3-pyridinyl)-6,6-dimethyl-4-oxo-5,7-dihydrofuro[3,2-c]pyridine-3-carboxamide.
What is the SMILES notation for N-(6-chloro-2-propan-2-yloxy-3-pyridinyl)-6,6-dimethyl-4-oxo-5,7-dihydrofuro[3,2-c]pyridine-3-carboxamide?
The canonical SMILES for N-(6-chloro-2-propan-2-yloxy-3-pyridinyl)-6,6-dimethyl-4-oxo-5,7-dihydrofuro[3,2-c]pyridine-3-carboxamide is CC(C)Oc1nc(Cl)ccc1NC(=O)c1coc2c1C(=O)NC(C)(C)C2.
What is the InChIKey of N-(6-chloro-2-propan-2-yloxy-3-pyridinyl)-6,6-dimethyl-4-oxo-5,7-dihydrofuro[3,2-c]pyridine-3-carboxamide?
The InChIKey is VISWMJZTJFRCGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClN3O4/c1-9(2)26-17-11(5-6-13(19)21-17)20-15(23)10-8-25-12-7-18(3,4)22-16(24)14(10)12/h5-6,8-9H,7H2,1-4H3,(H,20,23)(H,22,24).
What are the key properties of N-(6-chloro-2-propan-2-yloxy-3-pyridinyl)-6,6-dimethyl-4-oxo-5,7-dihydrofuro[3,2-c]pyridine-3-carboxamide?
N-(6-chloro-2-propan-2-yloxy-3-pyridinyl)-6,6-dimethyl-4-oxo-5,7-dihydrofuro[3,2-c]pyridine-3-carboxamide has a molecular weight of 377.83 g/mol, XLogP of 3.43, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-chloro-2-propan-2-yloxy-3-pyridinyl)-6,6-dimethyl-4-oxo-5,7-dihydrofuro[3,2-c]pyridine-3-carboxamide is sourced from PubChem (CID 118252903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).