N-methyl-5-propan-2-yloxy-2-pyridin-4-yl-1-benzofuran-3-carboxamide

C18H18N2O3 — CID 10018268

IUPACN-methyl-5-propan-2-yloxy-2-pyridin-4-yl-1-benzofuran-3-carboxamide
SMILESCNC(=O)c1c(-c2ccncc2)oc2ccc(OC(C)C)cc12
InChIInChI=1S/C18H18N2O3/c1-11(2)22-13-4-5-15-14(10-13)16(18(21)19-3)17(23-15)12-6-8-20-9-7-12/h4-11H,1-3H3,(H,19,21)
InChIKeyIYCHXILYJNVZRB-UHFFFAOYSA-N
MW310.35 g/mol
LogP3.64
Rot. Bonds4

About N-methyl-5-propan-2-yloxy-2-pyridin-4-yl-1-benzofuran-3-carboxamide

N-methyl-5-propan-2-yloxy-2-pyridin-4-yl-1-benzofuran-3-carboxamide (PubChem CID 10018268) has the molecular formula C18H18N2O3 and a molecular weight of 310.35 g/mol. Its IUPAC name is N-methyl-5-propan-2-yloxy-2-pyridin-4-yl-1-benzofuran-3-carboxamide.

Molecular Properties

Compound NameN-methyl-5-propan-2-yloxy-2-pyridin-4-yl-1-benzofuran-3-carboxamide
PubChem CID10018268
Molecular FormulaC18H18N2O3
Molecular Weight310.35 g/mol
Exact Mass310.13
IUPAC NameN-methyl-5-propan-2-yloxy-2-pyridin-4-yl-1-benzofuran-3-carboxamide
SMILESCNC(=O)c1c(-c2ccncc2)oc2ccc(OC(C)C)cc12
InChIInChI=1S/C18H18N2O3/c1-11(2)22-13-4-5-15-14(10-13)16(18(21)19-3)17(23-15)12-6-8-20-9-7-12/h4-11H,1-3H3,(H,19,21)
InChIKeyIYCHXILYJNVZRB-UHFFFAOYSA-N
XLogP3.64
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.35
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-methyl-5-propan-2-yloxy-2-pyridin-4-yl-1-benzofuran-3-carboxamide?
The IUPAC name of N-methyl-5-propan-2-yloxy-2-pyridin-4-yl-1-benzofuran-3-carboxamide (CID 10018268) is N-methyl-5-propan-2-yloxy-2-pyridin-4-yl-1-benzofuran-3-carboxamide.
What is the SMILES notation for N-methyl-5-propan-2-yloxy-2-pyridin-4-yl-1-benzofuran-3-carboxamide?
The canonical SMILES for N-methyl-5-propan-2-yloxy-2-pyridin-4-yl-1-benzofuran-3-carboxamide is CNC(=O)c1c(-c2ccncc2)oc2ccc(OC(C)C)cc12.
What is the InChIKey of N-methyl-5-propan-2-yloxy-2-pyridin-4-yl-1-benzofuran-3-carboxamide?
The InChIKey is IYCHXILYJNVZRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O3/c1-11(2)22-13-4-5-15-14(10-13)16(18(21)19-3)17(23-15)12-6-8-20-9-7-12/h4-11H,1-3H3,(H,19,21).
What are the key properties of N-methyl-5-propan-2-yloxy-2-pyridin-4-yl-1-benzofuran-3-carboxamide?
N-methyl-5-propan-2-yloxy-2-pyridin-4-yl-1-benzofuran-3-carboxamide has a molecular weight of 310.35 g/mol, XLogP of 3.64, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-5-propan-2-yloxy-2-pyridin-4-yl-1-benzofuran-3-carboxamide is sourced from PubChem (CID 10018268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).