5-(4-methoxyphenyl)-N-[(4-methoxy-2-pyridinyl)methyl]pyridine-3-carboxamide

C20H19N3O3 — CID 136518818

IUPAC5-(4-methoxyphenyl)-N-[(4-methoxy-2-pyridinyl)methyl]pyridine-3-carboxamide
SMILESCOc1ccc(-c2cncc(C(=O)NCc3cc(OC)ccn3)c2)cc1
InChIInChI=1S/C20H19N3O3/c1-25-18-5-3-14(4-6-18)15-9-16(12-21-11-15)20(24)23-13-17-10-19(26-2)7-8-22-17/h3-12H,13H2,1-2H3,(H,23,24)
InChIKeyKERJXCUPLITSFD-UHFFFAOYSA-N
MW349.39 g/mol
LogP3.09
Rot. Bonds6

About 5-(4-methoxyphenyl)-N-[(4-methoxy-2-pyridinyl)methyl]pyridine-3-carboxamide

5-(4-methoxyphenyl)-N-[(4-methoxy-2-pyridinyl)methyl]pyridine-3-carboxamide (PubChem CID 136518818) has the molecular formula C20H19N3O3 and a molecular weight of 349.39 g/mol. Its IUPAC name is 5-(4-methoxyphenyl)-N-[(4-methoxy-2-pyridinyl)methyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name5-(4-methoxyphenyl)-N-[(4-methoxy-2-pyridinyl)methyl]pyridine-3-carboxamide
PubChem CID136518818
Molecular FormulaC20H19N3O3
Molecular Weight349.39 g/mol
Exact Mass349.14
IUPAC Name5-(4-methoxyphenyl)-N-[(4-methoxy-2-pyridinyl)methyl]pyridine-3-carboxamide
SMILESCOc1ccc(-c2cncc(C(=O)NCc3cc(OC)ccn3)c2)cc1
InChIInChI=1S/C20H19N3O3/c1-25-18-5-3-14(4-6-18)15-9-16(12-21-11-15)20(24)23-13-17-10-19(26-2)7-8-22-17/h3-12H,13H2,1-2H3,(H,23,24)
InChIKeyKERJXCUPLITSFD-UHFFFAOYSA-N
XLogP3.09
TPSA73.34 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.39
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-benzyl-5-(4-methoxyphenyl)pyridine-3-carboxamide
CID 53020816
5-(4-methoxyphenyl)-N-[2-(methylamino)ethyl]pyridine-3-carboxamide
CID 119500985
N-[(4-fluorophenyl)methyl]-5-(4-methoxyphenyl)pyridine-3-carboxamide
CID 53020814
5-(4-phenoxyphenyl)-N-(pyridin-2-ylmethyl)pyridine-3-carboxamide
CID 46032971
5-(4-methoxyanilino)-N-(pyridin-2-ylmethyl)pyridine-3-carboxamide
CID 109234998
N-(1,3-benzodioxol-5-ylmethyl)-5-(4-methoxyphenyl)pyridine-3-carboxamide
CID 53010769
N-[(4-methoxy-2-pyridinyl)methyl]acetamide
CID 121378949
7-[[5-(4-methoxyphenyl)pyridine-3-carbonyl]amino]heptanoic acid
CID 119350793
5-(4-methoxyphenyl)-N-(2-morpholin-4-ylethyl)pyridine-3-carboxamide
CID 117088063
5-(4-methylphenyl)-N-(pyridin-4-ylmethyl)pyridine-3-carboxamide
CID 136514307
5-amino-N-[(4-methoxyphenyl)methyl]pyridine-3-carboxamide
CID 110851643
N-(4-methoxyphenyl)-5-phenylpyridine-3-carboxamide
CID 110683719

Frequently Asked Questions

What is the IUPAC name of 5-(4-methoxyphenyl)-N-[(4-methoxy-2-pyridinyl)methyl]pyridine-3-carboxamide?
The IUPAC name of 5-(4-methoxyphenyl)-N-[(4-methoxy-2-pyridinyl)methyl]pyridine-3-carboxamide (CID 136518818) is 5-(4-methoxyphenyl)-N-[(4-methoxy-2-pyridinyl)methyl]pyridine-3-carboxamide.
What is the SMILES notation for 5-(4-methoxyphenyl)-N-[(4-methoxy-2-pyridinyl)methyl]pyridine-3-carboxamide?
The canonical SMILES for 5-(4-methoxyphenyl)-N-[(4-methoxy-2-pyridinyl)methyl]pyridine-3-carboxamide is COc1ccc(-c2cncc(C(=O)NCc3cc(OC)ccn3)c2)cc1.
What is the InChIKey of 5-(4-methoxyphenyl)-N-[(4-methoxy-2-pyridinyl)methyl]pyridine-3-carboxamide?
The InChIKey is KERJXCUPLITSFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O3/c1-25-18-5-3-14(4-6-18)15-9-16(12-21-11-15)20(24)23-13-17-10-19(26-2)7-8-22-17/h3-12H,13H2,1-2H3,(H,23,24).
What are the key properties of 5-(4-methoxyphenyl)-N-[(4-methoxy-2-pyridinyl)methyl]pyridine-3-carboxamide?
5-(4-methoxyphenyl)-N-[(4-methoxy-2-pyridinyl)methyl]pyridine-3-carboxamide has a molecular weight of 349.39 g/mol, XLogP of 3.09, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-methoxyphenyl)-N-[(4-methoxy-2-pyridinyl)methyl]pyridine-3-carboxamide is sourced from PubChem (CID 136518818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).