N-[(5-methylfuran-2-yl)methyl]-2-pyridin-3-yloxypyridine-3-carboxamide

C17H15N3O3 — CID 22612035

IUPACN-[(5-methylfuran-2-yl)methyl]-2-pyridin-3-yloxypyridine-3-carboxamide
SMILESCc1ccc(CNC(=O)c2cccnc2Oc2cccnc2)o1
InChIInChI=1S/C17H15N3O3/c1-12-6-7-14(22-12)11-20-16(21)15-5-3-9-19-17(15)23-13-4-2-8-18-10-13/h2-10H,11H2,1H3,(H,20,21)
InChIKeyWEWVOVAVLDQETI-UHFFFAOYSA-N
MW309.33 g/mol
LogP3.10
Rot. Bonds5

About N-[(5-methylfuran-2-yl)methyl]-2-pyridin-3-yloxypyridine-3-carboxamide

N-[(5-methylfuran-2-yl)methyl]-2-pyridin-3-yloxypyridine-3-carboxamide (PubChem CID 22612035) has the molecular formula C17H15N3O3 and a molecular weight of 309.33 g/mol. Its IUPAC name is N-[(5-methylfuran-2-yl)methyl]-2-pyridin-3-yloxypyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(5-methylfuran-2-yl)methyl]-2-pyridin-3-yloxypyridine-3-carboxamide
PubChem CID22612035
Molecular FormulaC17H15N3O3
Molecular Weight309.33 g/mol
Exact Mass309.11
IUPAC NameN-[(5-methylfuran-2-yl)methyl]-2-pyridin-3-yloxypyridine-3-carboxamide
SMILESCc1ccc(CNC(=O)c2cccnc2Oc2cccnc2)o1
InChIInChI=1S/C17H15N3O3/c1-12-6-7-14(22-12)11-20-16(21)15-5-3-9-19-17(15)23-13-4-2-8-18-10-13/h2-10H,11H2,1H3,(H,20,21)
InChIKeyWEWVOVAVLDQETI-UHFFFAOYSA-N
XLogP3.10
TPSA77.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.33
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(5-methylfuran-2-yl)methyl]-2-pyridin-3-yloxypyridine-3-carboxamide?
The IUPAC name of N-[(5-methylfuran-2-yl)methyl]-2-pyridin-3-yloxypyridine-3-carboxamide (CID 22612035) is N-[(5-methylfuran-2-yl)methyl]-2-pyridin-3-yloxypyridine-3-carboxamide.
What is the SMILES notation for N-[(5-methylfuran-2-yl)methyl]-2-pyridin-3-yloxypyridine-3-carboxamide?
The canonical SMILES for N-[(5-methylfuran-2-yl)methyl]-2-pyridin-3-yloxypyridine-3-carboxamide is Cc1ccc(CNC(=O)c2cccnc2Oc2cccnc2)o1.
What is the InChIKey of N-[(5-methylfuran-2-yl)methyl]-2-pyridin-3-yloxypyridine-3-carboxamide?
The InChIKey is WEWVOVAVLDQETI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3O3/c1-12-6-7-14(22-12)11-20-16(21)15-5-3-9-19-17(15)23-13-4-2-8-18-10-13/h2-10H,11H2,1H3,(H,20,21).
What are the key properties of N-[(5-methylfuran-2-yl)methyl]-2-pyridin-3-yloxypyridine-3-carboxamide?
N-[(5-methylfuran-2-yl)methyl]-2-pyridin-3-yloxypyridine-3-carboxamide has a molecular weight of 309.33 g/mol, XLogP of 3.10, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-methylfuran-2-yl)methyl]-2-pyridin-3-yloxypyridine-3-carboxamide is sourced from PubChem (CID 22612035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).