N-[3-[(3-amino-4-pyridinyl)oxymethyl]phenyl]-3,4,5-trimethoxybenzamide

C22H23N3O5 — CID 143408851

IUPACN-[3-[(3-amino-4-pyridinyl)oxymethyl]phenyl]-3,4,5-trimethoxybenzamide
SMILESCOc1cc(C(=O)Nc2cccc(COc3ccncc3N)c2)cc(OC)c1OC
InChIInChI=1S/C22H23N3O5/c1-27-19-10-15(11-20(28-2)21(19)29-3)22(26)25-16-6-4-5-14(9-16)13-30-18-7-8-24-12-17(18)23/h4-12H,13,23H2,1-3H3,(H,25,26)
InChIKeyUPOZDPAFNKYODD-UHFFFAOYSA-N
MW409.44 g/mol
LogP3.52
Rot. Bonds8

About N-[3-[(3-amino-4-pyridinyl)oxymethyl]phenyl]-3,4,5-trimethoxybenzamide

N-[3-[(3-amino-4-pyridinyl)oxymethyl]phenyl]-3,4,5-trimethoxybenzamide (PubChem CID 143408851) has the molecular formula C22H23N3O5 and a molecular weight of 409.44 g/mol. Its IUPAC name is N-[3-[(3-amino-4-pyridinyl)oxymethyl]phenyl]-3,4,5-trimethoxybenzamide.

Molecular Properties

Compound NameN-[3-[(3-amino-4-pyridinyl)oxymethyl]phenyl]-3,4,5-trimethoxybenzamide
PubChem CID143408851
Molecular FormulaC22H23N3O5
Molecular Weight409.44 g/mol
Exact Mass409.16
IUPAC NameN-[3-[(3-amino-4-pyridinyl)oxymethyl]phenyl]-3,4,5-trimethoxybenzamide
SMILESCOc1cc(C(=O)Nc2cccc(COc3ccncc3N)c2)cc(OC)c1OC
InChIInChI=1S/C22H23N3O5/c1-27-19-10-15(11-20(28-2)21(19)29-3)22(26)25-16-6-4-5-14(9-16)13-30-18-7-8-24-12-17(18)23/h4-12H,13,23H2,1-3H3,(H,25,26)
InChIKeyUPOZDPAFNKYODD-UHFFFAOYSA-N
XLogP3.52
TPSA104.93 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.44
LogP ≤ 53.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-[3-[(4-amino-3-pyridinyl)sulfanylmethyl]phenyl]-3,4,5-trimethoxybenzamide
CID 143409558
N-[4-[(3-amino-4-pyridinyl)oxymethyl]phenyl]-3,4-dimethoxybenzamide
CID 143408520
N-[3-(cyclopropylmethoxymethyl)phenyl]-3,4,5-trimethoxybenzamide
CID 48584262
3,4,5-trimethoxy-N-[3-[(3,4,5-trimethoxybenzoyl)amino]phenyl]benzamide
CID 4578304
N-[3-(methoxymethyl)phenyl]pyridine-3-carboxamide
CID 32638262
3,4,5-trimethoxy-N-[3-[(2-phenylacetyl)amino]phenyl]benzamide
CID 17235540
6-amino-N-[3-(methoxymethyl)phenyl]pyridine-3-carboxamide
CID 62060991
3,4,5-trimethoxy-N-(3-propan-2-yloxyphenyl)benzamide
CID 17154687
N-(3-chlorophenyl)-3,5-dimethoxy-4-phenylmethoxybenzamide
CID 9243538
3,5-dichloro-4-methoxy-N-[4-methoxy-3-(pyridin-4-ylmethoxy)phenyl]benzamide
CID 46448262
3-iodo-4-methoxy-N-(3-methoxyphenyl)-5-phenylmethoxybenzamide
CID 3340832
4-[(3-chlorophenyl)methoxy]pyridin-3-amine
CID 65126775

Frequently Asked Questions

What is the IUPAC name of N-[3-[(3-amino-4-pyridinyl)oxymethyl]phenyl]-3,4,5-trimethoxybenzamide?
The IUPAC name of N-[3-[(3-amino-4-pyridinyl)oxymethyl]phenyl]-3,4,5-trimethoxybenzamide (CID 143408851) is N-[3-[(3-amino-4-pyridinyl)oxymethyl]phenyl]-3,4,5-trimethoxybenzamide.
What is the SMILES notation for N-[3-[(3-amino-4-pyridinyl)oxymethyl]phenyl]-3,4,5-trimethoxybenzamide?
The canonical SMILES for N-[3-[(3-amino-4-pyridinyl)oxymethyl]phenyl]-3,4,5-trimethoxybenzamide is COc1cc(C(=O)Nc2cccc(COc3ccncc3N)c2)cc(OC)c1OC.
What is the InChIKey of N-[3-[(3-amino-4-pyridinyl)oxymethyl]phenyl]-3,4,5-trimethoxybenzamide?
The InChIKey is UPOZDPAFNKYODD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O5/c1-27-19-10-15(11-20(28-2)21(19)29-3)22(26)25-16-6-4-5-14(9-16)13-30-18-7-8-24-12-17(18)23/h4-12H,13,23H2,1-3H3,(H,25,26).
What are the key properties of N-[3-[(3-amino-4-pyridinyl)oxymethyl]phenyl]-3,4,5-trimethoxybenzamide?
N-[3-[(3-amino-4-pyridinyl)oxymethyl]phenyl]-3,4,5-trimethoxybenzamide has a molecular weight of 409.44 g/mol, XLogP of 3.52, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(3-amino-4-pyridinyl)oxymethyl]phenyl]-3,4,5-trimethoxybenzamide is sourced from PubChem (CID 143408851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).