N-[4-[(3-amino-4-pyridinyl)oxymethyl]phenyl]-3,4-dimethoxybenzamide

C21H21N3O4 — CID 143408520

IUPACN-[4-[(3-amino-4-pyridinyl)oxymethyl]phenyl]-3,4-dimethoxybenzamide
SMILESCOc1ccc(C(=O)Nc2ccc(COc3ccncc3N)cc2)cc1OC
InChIInChI=1S/C21H21N3O4/c1-26-19-8-5-15(11-20(19)27-2)21(25)24-16-6-3-14(4-7-16)13-28-18-9-10-23-12-17(18)22/h3-12H,13,22H2,1-2H3,(H,24,25)
InChIKeyZZQXIFPYZRNGSI-UHFFFAOYSA-N
MW379.42 g/mol
LogP3.51
Rot. Bonds7

About N-[4-[(3-amino-4-pyridinyl)oxymethyl]phenyl]-3,4-dimethoxybenzamide

N-[4-[(3-amino-4-pyridinyl)oxymethyl]phenyl]-3,4-dimethoxybenzamide (PubChem CID 143408520) has the molecular formula C21H21N3O4 and a molecular weight of 379.42 g/mol. Its IUPAC name is N-[4-[(3-amino-4-pyridinyl)oxymethyl]phenyl]-3,4-dimethoxybenzamide.

Molecular Properties

Compound NameN-[4-[(3-amino-4-pyridinyl)oxymethyl]phenyl]-3,4-dimethoxybenzamide
PubChem CID143408520
Molecular FormulaC21H21N3O4
Molecular Weight379.42 g/mol
Exact Mass379.15
IUPAC NameN-[4-[(3-amino-4-pyridinyl)oxymethyl]phenyl]-3,4-dimethoxybenzamide
SMILESCOc1ccc(C(=O)Nc2ccc(COc3ccncc3N)cc2)cc1OC
InChIInChI=1S/C21H21N3O4/c1-26-19-8-5-15(11-20(19)27-2)21(25)24-16-6-3-14(4-7-16)13-28-18-9-10-23-12-17(18)22/h3-12H,13,22H2,1-2H3,(H,24,25)
InChIKeyZZQXIFPYZRNGSI-UHFFFAOYSA-N
XLogP3.51
TPSA95.70 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.42
LogP ≤ 53.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[3-[(3-amino-4-pyridinyl)oxymethyl]phenyl]-3,4,5-trimethoxybenzamide
CID 143408851
4-acetamido-N-[4-methoxy-3-(pyridin-4-ylmethoxy)phenyl]benzamide
CID 43068273
N-[4-(aminomethyl)phenyl]-3,4-dimethoxybenzamide
CID 16793219
3,4-dimethoxy-N-[4-(pyridin-4-ylmethylamino)phenyl]benzamide
CID 112983135
3,4-diethoxy-N-[4-methoxy-3-(pyridin-3-ylmethoxy)phenyl]benzamide
CID 46426672
3-methoxy-N-phenyl-4-phenylmethoxybenzamide
CID 5161412
N-(4-acetylphenyl)-4-[(4-chlorophenyl)methoxy]-3-methoxybenzamide
CID 2282296
N-(3-amino-4-methylphenyl)-3,4-dimethoxybenzamide
CID 22732292
N-(4-benzoylphenyl)-3-methoxy-4-phenylmethoxybenzamide
CID 139779423
3,5-dichloro-N-[4-methoxy-3-(pyridin-4-ylmethoxy)phenyl]benzamide
CID 46427791
N-[4-methoxy-3-(pyridin-4-ylmethoxy)phenyl]-3-(trifluoromethyl)benzamide
CID 33128215
3,4-dimethoxy-N-(4-pyridin-3-yloxyphenyl)benzamide
CID 90643074

Frequently Asked Questions

What is the IUPAC name of N-[4-[(3-amino-4-pyridinyl)oxymethyl]phenyl]-3,4-dimethoxybenzamide?
The IUPAC name of N-[4-[(3-amino-4-pyridinyl)oxymethyl]phenyl]-3,4-dimethoxybenzamide (CID 143408520) is N-[4-[(3-amino-4-pyridinyl)oxymethyl]phenyl]-3,4-dimethoxybenzamide.
What is the SMILES notation for N-[4-[(3-amino-4-pyridinyl)oxymethyl]phenyl]-3,4-dimethoxybenzamide?
The canonical SMILES for N-[4-[(3-amino-4-pyridinyl)oxymethyl]phenyl]-3,4-dimethoxybenzamide is COc1ccc(C(=O)Nc2ccc(COc3ccncc3N)cc2)cc1OC.
What is the InChIKey of N-[4-[(3-amino-4-pyridinyl)oxymethyl]phenyl]-3,4-dimethoxybenzamide?
The InChIKey is ZZQXIFPYZRNGSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O4/c1-26-19-8-5-15(11-20(19)27-2)21(25)24-16-6-3-14(4-7-16)13-28-18-9-10-23-12-17(18)22/h3-12H,13,22H2,1-2H3,(H,24,25).
What are the key properties of N-[4-[(3-amino-4-pyridinyl)oxymethyl]phenyl]-3,4-dimethoxybenzamide?
N-[4-[(3-amino-4-pyridinyl)oxymethyl]phenyl]-3,4-dimethoxybenzamide has a molecular weight of 379.42 g/mol, XLogP of 3.51, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(3-amino-4-pyridinyl)oxymethyl]phenyl]-3,4-dimethoxybenzamide is sourced from PubChem (CID 143408520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).