N-[2,4-dimethyl-6-(1,4-oxazepan-4-yl)-3-pyridinyl]-3-methylfuran-2-carboxamide

C18H23N3O3 — CID 51034753

IUPACN-[2,4-dimethyl-6-(1,4-oxazepan-4-yl)-3-pyridinyl]-3-methylfuran-2-carboxamide
SMILESCc1ccoc1C(=O)Nc1c(C)cc(N2CCCOCC2)nc1C
InChIInChI=1S/C18H23N3O3/c1-12-5-9-24-17(12)18(22)20-16-13(2)11-15(19-14(16)3)21-6-4-8-23-10-7-21/h5,9,11H,4,6-8,10H2,1-3H3,(H,20,22)
InChIKeyLQUQFPDNLVDCHS-UHFFFAOYSA-N
MW329.40 g/mol
LogP3.08
Rot. Bonds3

About N-[2,4-dimethyl-6-(1,4-oxazepan-4-yl)-3-pyridinyl]-3-methylfuran-2-carboxamide

N-[2,4-dimethyl-6-(1,4-oxazepan-4-yl)-3-pyridinyl]-3-methylfuran-2-carboxamide (PubChem CID 51034753) has the molecular formula C18H23N3O3 and a molecular weight of 329.40 g/mol. Its IUPAC name is N-[2,4-dimethyl-6-(1,4-oxazepan-4-yl)-3-pyridinyl]-3-methylfuran-2-carboxamide.

Molecular Properties

Compound NameN-[2,4-dimethyl-6-(1,4-oxazepan-4-yl)-3-pyridinyl]-3-methylfuran-2-carboxamide
PubChem CID51034753
Molecular FormulaC18H23N3O3
Molecular Weight329.40 g/mol
Exact Mass329.17
IUPAC NameN-[2,4-dimethyl-6-(1,4-oxazepan-4-yl)-3-pyridinyl]-3-methylfuran-2-carboxamide
SMILESCc1ccoc1C(=O)Nc1c(C)cc(N2CCCOCC2)nc1C
InChIInChI=1S/C18H23N3O3/c1-12-5-9-24-17(12)18(22)20-16-13(2)11-15(19-14(16)3)21-6-4-8-23-10-7-21/h5,9,11H,4,6-8,10H2,1-3H3,(H,20,22)
InChIKeyLQUQFPDNLVDCHS-UHFFFAOYSA-N
XLogP3.08
TPSA67.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2,4-dimethyl-6-(1,4-oxazepan-4-yl)-3-pyridinyl]-3-methylfuran-2-carboxamide?
The IUPAC name of N-[2,4-dimethyl-6-(1,4-oxazepan-4-yl)-3-pyridinyl]-3-methylfuran-2-carboxamide (CID 51034753) is N-[2,4-dimethyl-6-(1,4-oxazepan-4-yl)-3-pyridinyl]-3-methylfuran-2-carboxamide.
What is the SMILES notation for N-[2,4-dimethyl-6-(1,4-oxazepan-4-yl)-3-pyridinyl]-3-methylfuran-2-carboxamide?
The canonical SMILES for N-[2,4-dimethyl-6-(1,4-oxazepan-4-yl)-3-pyridinyl]-3-methylfuran-2-carboxamide is Cc1ccoc1C(=O)Nc1c(C)cc(N2CCCOCC2)nc1C.
What is the InChIKey of N-[2,4-dimethyl-6-(1,4-oxazepan-4-yl)-3-pyridinyl]-3-methylfuran-2-carboxamide?
The InChIKey is LQUQFPDNLVDCHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O3/c1-12-5-9-24-17(12)18(22)20-16-13(2)11-15(19-14(16)3)21-6-4-8-23-10-7-21/h5,9,11H,4,6-8,10H2,1-3H3,(H,20,22).
What are the key properties of N-[2,4-dimethyl-6-(1,4-oxazepan-4-yl)-3-pyridinyl]-3-methylfuran-2-carboxamide?
N-[2,4-dimethyl-6-(1,4-oxazepan-4-yl)-3-pyridinyl]-3-methylfuran-2-carboxamide has a molecular weight of 329.40 g/mol, XLogP of 3.08, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2,4-dimethyl-6-(1,4-oxazepan-4-yl)-3-pyridinyl]-3-methylfuran-2-carboxamide is sourced from PubChem (CID 51034753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).