N-(3-hydroxy-4-pyridinyl)-3,5-dimethyl-4-(pyridin-3-ylmethoxy)benzamide

C20H19N3O3 — CID 75370477

IUPACN-(3-hydroxy-4-pyridinyl)-3,5-dimethyl-4-(pyridin-3-ylmethoxy)benzamide
SMILESCc1cc(C(=O)Nc2ccncc2O)cc(C)c1OCc1cccnc1
InChIInChI=1S/C20H19N3O3/c1-13-8-16(20(25)23-17-5-7-22-11-18(17)24)9-14(2)19(13)26-12-15-4-3-6-21-10-15/h3-11,24H,12H2,1-2H3,(H,22,23,25)
InChIKeyTUFUIMJFTSTION-UHFFFAOYSA-N
MW349.39 g/mol
LogP3.63
Rot. Bonds5

About N-(3-hydroxy-4-pyridinyl)-3,5-dimethyl-4-(pyridin-3-ylmethoxy)benzamide

N-(3-hydroxy-4-pyridinyl)-3,5-dimethyl-4-(pyridin-3-ylmethoxy)benzamide (PubChem CID 75370477) has the molecular formula C20H19N3O3 and a molecular weight of 349.39 g/mol. Its IUPAC name is N-(3-hydroxy-4-pyridinyl)-3,5-dimethyl-4-(pyridin-3-ylmethoxy)benzamide.

Molecular Properties

Compound NameN-(3-hydroxy-4-pyridinyl)-3,5-dimethyl-4-(pyridin-3-ylmethoxy)benzamide
PubChem CID75370477
Molecular FormulaC20H19N3O3
Molecular Weight349.39 g/mol
Exact Mass349.14
IUPAC NameN-(3-hydroxy-4-pyridinyl)-3,5-dimethyl-4-(pyridin-3-ylmethoxy)benzamide
SMILESCc1cc(C(=O)Nc2ccncc2O)cc(C)c1OCc1cccnc1
InChIInChI=1S/C20H19N3O3/c1-13-8-16(20(25)23-17-5-7-22-11-18(17)24)9-14(2)19(13)26-12-15-4-3-6-21-10-15/h3-11,24H,12H2,1-2H3,(H,22,23,25)
InChIKeyTUFUIMJFTSTION-UHFFFAOYSA-N
XLogP3.63
TPSA84.34 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.39
LogP ≤ 53.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N,3,5-trimethyl-4-(pyridin-3-ylmethoxy)benzamide
CID 166187994
N'-[3,5-dimethyl-4-(pyridin-3-ylmethoxy)benzoyl]pyridine-3-carbohydrazide
CID 39716937
N-(2,4-dimethoxyphenyl)-3,5-dimethyl-4-(pyridin-3-ylmethoxy)benzamide
CID 39709892
3,5-dimethyl-N-[2-methyl-5-(1,3,4-oxadiazol-2-yl)phenyl]-4-(pyridin-3-ylmethoxy)benzamide
CID 55963336
3,5-dimethyl-N-[2-(methylamino)ethyl]-4-(pyridin-3-ylmethoxy)benzamide
CID 119503562
methyl 2-chloro-5-[[3,5-dimethyl-4-(pyridin-3-ylmethoxy)benzoyl]amino]benzoate
CID 55762087
N'-(2-chlorobenzoyl)-3,5-dimethyl-4-(pyridin-3-ylmethoxy)benzohydrazide
CID 55691668
3,5-dimethyl-4-(pyridin-3-ylmethoxy)-N-[4-(pyrrolidine-1-carbonyl)phenyl]benzamide
CID 55699320
2-[[3,5-dimethyl-4-(pyridin-3-ylmethoxy)benzoyl]amino]-2-methylbutanoic acid
CID 120518519
3,5-dimethyl-4-(pyridin-3-ylmethoxy)-N-[4-(1,2,4-triazol-1-yl)phenyl]benzamide
CID 55761729
3,5-dimethyl-N-[2-(pyrazin-2-ylamino)ethyl]-4-(pyridin-3-ylmethoxy)benzamide
CID 47031577
N-[[3-[(2-methoxyacetyl)amino]phenyl]methyl]-3,5-dimethyl-4-(pyridin-3-ylmethoxy)benzamide
CID 55690549

Frequently Asked Questions

What is the IUPAC name of N-(3-hydroxy-4-pyridinyl)-3,5-dimethyl-4-(pyridin-3-ylmethoxy)benzamide?
The IUPAC name of N-(3-hydroxy-4-pyridinyl)-3,5-dimethyl-4-(pyridin-3-ylmethoxy)benzamide (CID 75370477) is N-(3-hydroxy-4-pyridinyl)-3,5-dimethyl-4-(pyridin-3-ylmethoxy)benzamide.
What is the SMILES notation for N-(3-hydroxy-4-pyridinyl)-3,5-dimethyl-4-(pyridin-3-ylmethoxy)benzamide?
The canonical SMILES for N-(3-hydroxy-4-pyridinyl)-3,5-dimethyl-4-(pyridin-3-ylmethoxy)benzamide is Cc1cc(C(=O)Nc2ccncc2O)cc(C)c1OCc1cccnc1.
What is the InChIKey of N-(3-hydroxy-4-pyridinyl)-3,5-dimethyl-4-(pyridin-3-ylmethoxy)benzamide?
The InChIKey is TUFUIMJFTSTION-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O3/c1-13-8-16(20(25)23-17-5-7-22-11-18(17)24)9-14(2)19(13)26-12-15-4-3-6-21-10-15/h3-11,24H,12H2,1-2H3,(H,22,23,25).
What are the key properties of N-(3-hydroxy-4-pyridinyl)-3,5-dimethyl-4-(pyridin-3-ylmethoxy)benzamide?
N-(3-hydroxy-4-pyridinyl)-3,5-dimethyl-4-(pyridin-3-ylmethoxy)benzamide has a molecular weight of 349.39 g/mol, XLogP of 3.63, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-hydroxy-4-pyridinyl)-3,5-dimethyl-4-(pyridin-3-ylmethoxy)benzamide is sourced from PubChem (CID 75370477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).