6-(4-formyl-2-methoxyphenoxy)pyridine-3-carboxamide

C14H12N2O4 — CID 59730016

IUPAC6-(4-formyl-2-methoxyphenoxy)pyridine-3-carboxamide
SMILESCOc1cc(C=O)ccc1Oc1ccc(C(N)=O)cn1
InChIInChI=1S/C14H12N2O4/c1-19-12-6-9(8-17)2-4-11(12)20-13-5-3-10(7-16-13)14(15)18/h2-8H,1H3,(H2,15,18)
InChIKeyNCLPRDALVWOBMJ-UHFFFAOYSA-N
MW272.26 g/mol
LogP1.79
Rot. Bonds5

About 6-(4-formyl-2-methoxyphenoxy)pyridine-3-carboxamide

6-(4-formyl-2-methoxyphenoxy)pyridine-3-carboxamide (PubChem CID 59730016) has the molecular formula C14H12N2O4 and a molecular weight of 272.26 g/mol. Its IUPAC name is 6-(4-formyl-2-methoxyphenoxy)pyridine-3-carboxamide.

Molecular Properties

Compound Name6-(4-formyl-2-methoxyphenoxy)pyridine-3-carboxamide
PubChem CID59730016
Molecular FormulaC14H12N2O4
Molecular Weight272.26 g/mol
Exact Mass272.08
IUPAC Name6-(4-formyl-2-methoxyphenoxy)pyridine-3-carboxamide
SMILESCOc1cc(C=O)ccc1Oc1ccc(C(N)=O)cn1
InChIInChI=1S/C14H12N2O4/c1-19-12-6-9(8-17)2-4-11(12)20-13-5-3-10(7-16-13)14(15)18/h2-8H,1H3,(H2,15,18)
InChIKeyNCLPRDALVWOBMJ-UHFFFAOYSA-N
XLogP1.79
TPSA91.51 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.26
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

3-methoxy-4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]benzaldehyde
CID 39860875
6-(3-amino-4-methoxyphenoxy)pyridine-3-carboxamide
CID 103202001
6-(3,4,5-trimethoxyphenoxy)pyridine-3-carboxamide
CID 69475423
methanesulfonic acid;6-[2-methoxy-4-(propylaminomethyl)phenoxy]pyridine-3-carboxamide
CID 87561327
6-[4-[(hexylamino)methyl]-2-methoxyphenoxy]pyridine-3-carboxamide;methanesulfonic acid
CID 87560034
3-methoxy-4-[[5-[(3-methylbutylamino)methyl]-2-pyridinyl]oxy]benzamide
CID 142891069
4-[(5-amino-6-methoxy-2-pyridinyl)oxy]-3-methoxybenzamide
CID 43262362
3-[(4-formyl-2-methoxyphenoxy)methyl]benzamide
CID 55631819
(4-formyl-2,6-dimethoxyphenyl) 3,4-dimethoxybenzoate
CID 820014
4-[12-(4-formyl-2-methoxyphenoxy)dodecoxy]-3-methoxybenzaldehyde
CID 101048187
4-(5-aminopyrimidin-2-yl)oxy-3-methoxybenzamide
CID 61147721
ethyl (E)-3-[4-[(5-amino-2-pyridinyl)oxy]-3-methoxyphenyl]prop-2-enoate
CID 140599199

Frequently Asked Questions

What is the IUPAC name of 6-(4-formyl-2-methoxyphenoxy)pyridine-3-carboxamide?
The IUPAC name of 6-(4-formyl-2-methoxyphenoxy)pyridine-3-carboxamide (CID 59730016) is 6-(4-formyl-2-methoxyphenoxy)pyridine-3-carboxamide.
What is the SMILES notation for 6-(4-formyl-2-methoxyphenoxy)pyridine-3-carboxamide?
The canonical SMILES for 6-(4-formyl-2-methoxyphenoxy)pyridine-3-carboxamide is COc1cc(C=O)ccc1Oc1ccc(C(N)=O)cn1.
What is the InChIKey of 6-(4-formyl-2-methoxyphenoxy)pyridine-3-carboxamide?
The InChIKey is NCLPRDALVWOBMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2O4/c1-19-12-6-9(8-17)2-4-11(12)20-13-5-3-10(7-16-13)14(15)18/h2-8H,1H3,(H2,15,18).
What are the key properties of 6-(4-formyl-2-methoxyphenoxy)pyridine-3-carboxamide?
6-(4-formyl-2-methoxyphenoxy)pyridine-3-carboxamide has a molecular weight of 272.26 g/mol, XLogP of 1.79, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-formyl-2-methoxyphenoxy)pyridine-3-carboxamide is sourced from PubChem (CID 59730016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).