4-methoxy-N-[(2-methoxy-4-pyridinyl)methyl]-3-(pyridin-4-ylmethoxy)benzamide

C21H21N3O4 — CID 31816152

IUPAC4-methoxy-N-[(2-methoxy-4-pyridinyl)methyl]-3-(pyridin-4-ylmethoxy)benzamide
SMILESCOc1cc(CNC(=O)c2ccc(OC)c(OCc3ccncc3)c2)ccn1
InChIInChI=1S/C21H21N3O4/c1-26-18-4-3-17(12-19(18)28-14-15-5-8-22-9-6-15)21(25)24-13-16-7-10-23-20(11-16)27-2/h3-12H,13-14H2,1-2H3,(H,24,25)
InChIKeyOAEKAHJUHHADQN-UHFFFAOYSA-N
MW379.42 g/mol
LogP3.00
Rot. Bonds8

About 4-methoxy-N-[(2-methoxy-4-pyridinyl)methyl]-3-(pyridin-4-ylmethoxy)benzamide

4-methoxy-N-[(2-methoxy-4-pyridinyl)methyl]-3-(pyridin-4-ylmethoxy)benzamide (PubChem CID 31816152) has the molecular formula C21H21N3O4 and a molecular weight of 379.42 g/mol. Its IUPAC name is 4-methoxy-N-[(2-methoxy-4-pyridinyl)methyl]-3-(pyridin-4-ylmethoxy)benzamide.

Molecular Properties

Compound Name4-methoxy-N-[(2-methoxy-4-pyridinyl)methyl]-3-(pyridin-4-ylmethoxy)benzamide
PubChem CID31816152
Molecular FormulaC21H21N3O4
Molecular Weight379.42 g/mol
Exact Mass379.15
IUPAC Name4-methoxy-N-[(2-methoxy-4-pyridinyl)methyl]-3-(pyridin-4-ylmethoxy)benzamide
SMILESCOc1cc(CNC(=O)c2ccc(OC)c(OCc3ccncc3)c2)ccn1
InChIInChI=1S/C21H21N3O4/c1-26-18-4-3-17(12-19(18)28-14-15-5-8-22-9-6-15)21(25)24-13-16-7-10-23-20(11-16)27-2/h3-12H,13-14H2,1-2H3,(H,24,25)
InChIKeyOAEKAHJUHHADQN-UHFFFAOYSA-N
XLogP3.00
TPSA82.57 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.42
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(2-methoxy-4-pyridinyl)methyl]pyridine-4-carboxamide
CID 47142420
3-methoxy-N-[(2-methoxy-4-pyridinyl)methyl]-4-prop-2-enoxybenzamide
CID 47019688
4-chloro-N-[[3-methoxy-4-(pyridin-4-ylmethoxy)phenyl]methyl]benzamide
CID 55745020
4-methoxy-N-[(1-methoxycyclohexyl)methyl]-3-(pyridin-4-ylmethoxy)benzamide
CID 91648934
N-[[3-methoxy-4-(pyridin-4-ylmethoxy)phenyl]methyl]-4-(methoxysulfamoyl)benzamide
CID 55843428
N-[[3-methoxy-4-(pyridin-4-ylmethoxy)phenyl]methyl]thiophene-3-carboxamide
CID 47042626
3-methoxy-4-methyl-N-(pyridin-4-ylmethyl)benzamide
CID 23530638
3-ethoxy-N-[[3-methoxy-4-(pyridin-4-ylmethoxy)phenyl]methyl]benzamide
CID 55912136
3-chloro-4-methoxy-N-(pyridin-4-ylmethyl)benzamide
CID 6472060
3,4-dimethoxy-N-[[3-(2-pyridin-4-ylethylcarbamoyl)phenyl]methyl]benzamide
CID 44819015
3-amino-N-[(2-methoxy-4-pyridinyl)methyl]benzamide
CID 62072661
6-amino-N-[(2-methoxy-4-pyridinyl)methyl]pyridine-3-carboxamide
CID 62073001

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-[(2-methoxy-4-pyridinyl)methyl]-3-(pyridin-4-ylmethoxy)benzamide?
The IUPAC name of 4-methoxy-N-[(2-methoxy-4-pyridinyl)methyl]-3-(pyridin-4-ylmethoxy)benzamide (CID 31816152) is 4-methoxy-N-[(2-methoxy-4-pyridinyl)methyl]-3-(pyridin-4-ylmethoxy)benzamide.
What is the SMILES notation for 4-methoxy-N-[(2-methoxy-4-pyridinyl)methyl]-3-(pyridin-4-ylmethoxy)benzamide?
The canonical SMILES for 4-methoxy-N-[(2-methoxy-4-pyridinyl)methyl]-3-(pyridin-4-ylmethoxy)benzamide is COc1cc(CNC(=O)c2ccc(OC)c(OCc3ccncc3)c2)ccn1.
What is the InChIKey of 4-methoxy-N-[(2-methoxy-4-pyridinyl)methyl]-3-(pyridin-4-ylmethoxy)benzamide?
The InChIKey is OAEKAHJUHHADQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O4/c1-26-18-4-3-17(12-19(18)28-14-15-5-8-22-9-6-15)21(25)24-13-16-7-10-23-20(11-16)27-2/h3-12H,13-14H2,1-2H3,(H,24,25).
What are the key properties of 4-methoxy-N-[(2-methoxy-4-pyridinyl)methyl]-3-(pyridin-4-ylmethoxy)benzamide?
4-methoxy-N-[(2-methoxy-4-pyridinyl)methyl]-3-(pyridin-4-ylmethoxy)benzamide has a molecular weight of 379.42 g/mol, XLogP of 3.00, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-[(2-methoxy-4-pyridinyl)methyl]-3-(pyridin-4-ylmethoxy)benzamide is sourced from PubChem (CID 31816152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).