N-[[3-methoxy-4-(pyridin-3-ylmethoxy)phenyl]methyl]pyridine-2-carboxamide

C20H19N3O3 — CID 38934279

IUPACN-[[3-methoxy-4-(pyridin-3-ylmethoxy)phenyl]methyl]pyridine-2-carboxamide
SMILESCOc1cc(CNC(=O)c2ccccn2)ccc1OCc1cccnc1
InChIInChI=1S/C20H19N3O3/c1-25-19-11-15(13-23-20(24)17-6-2-3-10-22-17)7-8-18(19)26-14-16-5-4-9-21-12-16/h2-12H,13-14H2,1H3,(H,23,24)
InChIKeySDBOYKKKSQIOEK-UHFFFAOYSA-N
MW349.39 g/mol
LogP2.99
Rot. Bonds7

About N-[[3-methoxy-4-(pyridin-3-ylmethoxy)phenyl]methyl]pyridine-2-carboxamide

N-[[3-methoxy-4-(pyridin-3-ylmethoxy)phenyl]methyl]pyridine-2-carboxamide (PubChem CID 38934279) has the molecular formula C20H19N3O3 and a molecular weight of 349.39 g/mol. Its IUPAC name is N-[[3-methoxy-4-(pyridin-3-ylmethoxy)phenyl]methyl]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[[3-methoxy-4-(pyridin-3-ylmethoxy)phenyl]methyl]pyridine-2-carboxamide
PubChem CID38934279
Molecular FormulaC20H19N3O3
Molecular Weight349.39 g/mol
Exact Mass349.14
IUPAC NameN-[[3-methoxy-4-(pyridin-3-ylmethoxy)phenyl]methyl]pyridine-2-carboxamide
SMILESCOc1cc(CNC(=O)c2ccccn2)ccc1OCc1cccnc1
InChIInChI=1S/C20H19N3O3/c1-25-19-11-15(13-23-20(24)17-6-2-3-10-22-17)7-8-18(19)26-14-16-5-4-9-21-12-16/h2-12H,13-14H2,1H3,(H,23,24)
InChIKeySDBOYKKKSQIOEK-UHFFFAOYSA-N
XLogP2.99
TPSA73.34 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.39
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[3-methoxy-4-(pyridin-3-ylmethoxy)phenyl]methyl]propanamide
CID 38934198
2,5-dichloro-N-[[3-methoxy-4-(pyridin-3-ylmethoxy)phenyl]methyl]pyridine-4-carboxamide
CID 166405501
5-[(3,4-dimethoxyphenyl)methylamino]-N-(pyridin-3-ylmethyl)pyridine-2-carboxamide
CID 109191185
1-[3-methoxy-4-(pyridin-3-ylmethoxy)phenyl]-N-methylmethanamine
CID 43278584
(2S)-2-ethoxy-N-[[3-methoxy-4-(pyridin-3-ylmethoxy)phenyl]methyl]propanamide
CID 94866694
[3-methoxy-4-(pyridin-3-ylmethoxy)phenyl]methanol
CID 28562159
N-[[4-(2-amino-2-oxoethoxy)-3-methoxyphenyl]methyl]pyrazine-2-carboxamide
CID 56809138
N-[(3,4-dimethoxyphenyl)methyl]-N'-(pyridin-3-ylmethyl)propanediamide
CID 108947614
2-[(3,4-dimethoxyphenyl)methylamino]-N-(pyridin-3-ylmethyl)pyrimidine-5-carboxamide
CID 109258829
N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]quinoline-5-carboxamide
CID 26031383
4-(3,4-dimethoxyanilino)-N-(pyridin-3-ylmethyl)pyridine-2-carboxamide
CID 109213046
3-[[4-(bromomethyl)-2-methoxyphenoxy]methyl]pyridine
CID 43324725

Frequently Asked Questions

What is the IUPAC name of N-[[3-methoxy-4-(pyridin-3-ylmethoxy)phenyl]methyl]pyridine-2-carboxamide?
The IUPAC name of N-[[3-methoxy-4-(pyridin-3-ylmethoxy)phenyl]methyl]pyridine-2-carboxamide (CID 38934279) is N-[[3-methoxy-4-(pyridin-3-ylmethoxy)phenyl]methyl]pyridine-2-carboxamide.
What is the SMILES notation for N-[[3-methoxy-4-(pyridin-3-ylmethoxy)phenyl]methyl]pyridine-2-carboxamide?
The canonical SMILES for N-[[3-methoxy-4-(pyridin-3-ylmethoxy)phenyl]methyl]pyridine-2-carboxamide is COc1cc(CNC(=O)c2ccccn2)ccc1OCc1cccnc1.
What is the InChIKey of N-[[3-methoxy-4-(pyridin-3-ylmethoxy)phenyl]methyl]pyridine-2-carboxamide?
The InChIKey is SDBOYKKKSQIOEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O3/c1-25-19-11-15(13-23-20(24)17-6-2-3-10-22-17)7-8-18(19)26-14-16-5-4-9-21-12-16/h2-12H,13-14H2,1H3,(H,23,24).
What are the key properties of N-[[3-methoxy-4-(pyridin-3-ylmethoxy)phenyl]methyl]pyridine-2-carboxamide?
N-[[3-methoxy-4-(pyridin-3-ylmethoxy)phenyl]methyl]pyridine-2-carboxamide has a molecular weight of 349.39 g/mol, XLogP of 2.99, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-methoxy-4-(pyridin-3-ylmethoxy)phenyl]methyl]pyridine-2-carboxamide is sourced from PubChem (CID 38934279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).