2,5-dichloro-N-[[3-methoxy-4-(pyridin-3-ylmethoxy)phenyl]methyl]pyridine-4-carboxamide

C20H17Cl2N3O3 — CID 166405501

IUPAC2,5-dichloro-N-[[3-methoxy-4-(pyridin-3-ylmethoxy)phenyl]methyl]pyridine-4-carboxamide
SMILESCOc1cc(CNC(=O)c2cc(Cl)ncc2Cl)ccc1OCc1cccnc1
InChIInChI=1S/C20H17Cl2N3O3/c1-27-18-7-13(4-5-17(18)28-12-14-3-2-6-23-9-14)10-25-20(26)15-8-19(22)24-11-16(15)21/h2-9,11H,10,12H2,1H3,(H,25,26)
InChIKeyLQYDJOYCUFOYLY-UHFFFAOYSA-N
MW418.28 g/mol
LogP4.30
Rot. Bonds7

About 2,5-dichloro-N-[[3-methoxy-4-(pyridin-3-ylmethoxy)phenyl]methyl]pyridine-4-carboxamide

2,5-dichloro-N-[[3-methoxy-4-(pyridin-3-ylmethoxy)phenyl]methyl]pyridine-4-carboxamide (PubChem CID 166405501) has the molecular formula C20H17Cl2N3O3 and a molecular weight of 418.28 g/mol. Its IUPAC name is 2,5-dichloro-N-[[3-methoxy-4-(pyridin-3-ylmethoxy)phenyl]methyl]pyridine-4-carboxamide.

Molecular Properties

Compound Name2,5-dichloro-N-[[3-methoxy-4-(pyridin-3-ylmethoxy)phenyl]methyl]pyridine-4-carboxamide
PubChem CID166405501
Molecular FormulaC20H17Cl2N3O3
Molecular Weight418.28 g/mol
Exact Mass417.06
IUPAC Name2,5-dichloro-N-[[3-methoxy-4-(pyridin-3-ylmethoxy)phenyl]methyl]pyridine-4-carboxamide
SMILESCOc1cc(CNC(=O)c2cc(Cl)ncc2Cl)ccc1OCc1cccnc1
InChIInChI=1S/C20H17Cl2N3O3/c1-27-18-7-13(4-5-17(18)28-12-14-3-2-6-23-9-14)10-25-20(26)15-8-19(22)24-11-16(15)21/h2-9,11H,10,12H2,1H3,(H,25,26)
InChIKeyLQYDJOYCUFOYLY-UHFFFAOYSA-N
XLogP4.30
TPSA73.34 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.28
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze 2,5-dichloro-N-[[3-methoxy-4-(pyridin-3-ylmethoxy)phenyl]methyl]pyridine-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[[3-methoxy-4-(pyridin-3-ylmethoxy)phenyl]methyl]pyridine-2-carboxamide
CID 38934279
N-[[3-methoxy-4-(pyridin-3-ylmethoxy)phenyl]methyl]propanamide
CID 38934198
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-[(3,4-dimethoxyphenyl)methyl]-N'-(pyridin-3-ylmethyl)propanediamide
CID 108947614
5-[(3,4-dimethoxyphenyl)methylamino]-N-(pyridin-3-ylmethyl)pyridine-2-carboxamide
CID 109191185
2-N-[(3,4-dimethoxyphenyl)methyl]-1-N-(pyridin-3-ylmethyl)cyclopropane-1,2-dicarboxamide
CID 109137034
2-[(3,4-dimethoxyphenyl)methylamino]-N-(pyridin-3-ylmethyl)pyrimidine-5-carboxamide
CID 109258829
N-[(3,4-dimethoxyphenyl)methyl]-6-(pyridin-3-ylmethylamino)pyridine-3-carboxamide
CID 109157851
N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]quinoline-5-carboxamide
CID 26031383
3-[[4-(bromomethyl)-2-methoxyphenoxy]methyl]pyridine
CID 43324725

Frequently Asked Questions

What is the IUPAC name of 2,5-dichloro-N-[[3-methoxy-4-(pyridin-3-ylmethoxy)phenyl]methyl]pyridine-4-carboxamide?
The IUPAC name of 2,5-dichloro-N-[[3-methoxy-4-(pyridin-3-ylmethoxy)phenyl]methyl]pyridine-4-carboxamide (CID 166405501) is 2,5-dichloro-N-[[3-methoxy-4-(pyridin-3-ylmethoxy)phenyl]methyl]pyridine-4-carboxamide.
What is the SMILES notation for 2,5-dichloro-N-[[3-methoxy-4-(pyridin-3-ylmethoxy)phenyl]methyl]pyridine-4-carboxamide?
The canonical SMILES for 2,5-dichloro-N-[[3-methoxy-4-(pyridin-3-ylmethoxy)phenyl]methyl]pyridine-4-carboxamide is COc1cc(CNC(=O)c2cc(Cl)ncc2Cl)ccc1OCc1cccnc1.
What is the InChIKey of 2,5-dichloro-N-[[3-methoxy-4-(pyridin-3-ylmethoxy)phenyl]methyl]pyridine-4-carboxamide?
The InChIKey is LQYDJOYCUFOYLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17Cl2N3O3/c1-27-18-7-13(4-5-17(18)28-12-14-3-2-6-23-9-14)10-25-20(26)15-8-19(22)24-11-16(15)21/h2-9,11H,10,12H2,1H3,(H,25,26).
What are the key properties of 2,5-dichloro-N-[[3-methoxy-4-(pyridin-3-ylmethoxy)phenyl]methyl]pyridine-4-carboxamide?
2,5-dichloro-N-[[3-methoxy-4-(pyridin-3-ylmethoxy)phenyl]methyl]pyridine-4-carboxamide has a molecular weight of 418.28 g/mol, XLogP of 4.30, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dichloro-N-[[3-methoxy-4-(pyridin-3-ylmethoxy)phenyl]methyl]pyridine-4-carboxamide is sourced from PubChem (CID 166405501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).