3-ethoxy-N-(1-methylpyrazol-3-yl)-4-(pyridin-4-ylmethoxy)benzamide

C19H20N4O3 — CID 39681534

IUPAC3-ethoxy-N-(1-methylpyrazol-3-yl)-4-(pyridin-4-ylmethoxy)benzamide
SMILESCCOc1cc(C(=O)Nc2ccn(C)n2)ccc1OCc1ccncc1
InChIInChI=1S/C19H20N4O3/c1-3-25-17-12-15(19(24)21-18-8-11-23(2)22-18)4-5-16(17)26-13-14-6-9-20-10-7-14/h4-12H,3,13H2,1-2H3,(H,21,22,24)
InChIKeyHVISJUUTOHLNAM-UHFFFAOYSA-N
MW352.39 g/mol
LogP3.05
Rot. Bonds7

About 3-ethoxy-N-(1-methylpyrazol-3-yl)-4-(pyridin-4-ylmethoxy)benzamide

3-ethoxy-N-(1-methylpyrazol-3-yl)-4-(pyridin-4-ylmethoxy)benzamide (PubChem CID 39681534) has the molecular formula C19H20N4O3 and a molecular weight of 352.39 g/mol. Its IUPAC name is 3-ethoxy-N-(1-methylpyrazol-3-yl)-4-(pyridin-4-ylmethoxy)benzamide.

Molecular Properties

Compound Name3-ethoxy-N-(1-methylpyrazol-3-yl)-4-(pyridin-4-ylmethoxy)benzamide
PubChem CID39681534
Molecular FormulaC19H20N4O3
Molecular Weight352.39 g/mol
Exact Mass352.15
IUPAC Name3-ethoxy-N-(1-methylpyrazol-3-yl)-4-(pyridin-4-ylmethoxy)benzamide
SMILESCCOc1cc(C(=O)Nc2ccn(C)n2)ccc1OCc1ccncc1
InChIInChI=1S/C19H20N4O3/c1-3-25-17-12-15(19(24)21-18-8-11-23(2)22-18)4-5-16(17)26-13-14-6-9-20-10-7-14/h4-12H,3,13H2,1-2H3,(H,21,22,24)
InChIKeyHVISJUUTOHLNAM-UHFFFAOYSA-N
XLogP3.05
TPSA78.27 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.39
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-ethoxy-N'-(4-ethylbenzoyl)-4-(pyridin-4-ylmethoxy)benzohydrazide
CID 55576010
N-(2,4-dimethylphenyl)-3-ethoxy-4-(pyridin-4-ylmethoxy)benzamide
CID 25337421
N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-3-ethoxy-4-(pyridin-4-ylmethoxy)benzamide
CID 30838786
N-[2-(3,4-diethoxyphenyl)ethyl]-3-ethoxy-4-(pyridin-4-ylmethoxy)benzamide
CID 46535133
N-[4-(benzimidazol-1-yl)phenyl]-3-ethoxy-4-(pyridin-4-ylmethoxy)benzamide
CID 55575206
methyl 3-[[3-ethoxy-4-(pyridin-4-ylmethoxy)benzoyl]amino]-2-hydroxybenzoate
CID 56576167
N-[3-(dimethylsulfamoyl)-4-methoxyphenyl]-3-ethoxy-4-(pyridin-4-ylmethoxy)benzamide
CID 30838314
N-[[4-(diethylaminomethyl)phenyl]methyl]-3-ethoxy-4-(pyridin-4-ylmethoxy)benzamide
CID 43054762
3-ethoxy-N-(6-methylheptan-2-yl)-4-(pyridin-4-ylmethoxy)benzamide
CID 55557389
3-ethoxy-N-[[4-[(4-methylpiperazin-1-yl)methyl]phenyl]methyl]-4-(pyridin-4-ylmethoxy)benzamide
CID 55840971
N-(4-cyclopropyl-1,3-thiazol-2-yl)-3-ethoxy-4-(pyridin-4-ylmethoxy)benzamide
CID 32869689
N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-3-ethoxy-4-(pyridin-4-ylmethoxy)benzamide
CID 55558162

Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-N-(1-methylpyrazol-3-yl)-4-(pyridin-4-ylmethoxy)benzamide?
The IUPAC name of 3-ethoxy-N-(1-methylpyrazol-3-yl)-4-(pyridin-4-ylmethoxy)benzamide (CID 39681534) is 3-ethoxy-N-(1-methylpyrazol-3-yl)-4-(pyridin-4-ylmethoxy)benzamide.
What is the SMILES notation for 3-ethoxy-N-(1-methylpyrazol-3-yl)-4-(pyridin-4-ylmethoxy)benzamide?
The canonical SMILES for 3-ethoxy-N-(1-methylpyrazol-3-yl)-4-(pyridin-4-ylmethoxy)benzamide is CCOc1cc(C(=O)Nc2ccn(C)n2)ccc1OCc1ccncc1.
What is the InChIKey of 3-ethoxy-N-(1-methylpyrazol-3-yl)-4-(pyridin-4-ylmethoxy)benzamide?
The InChIKey is HVISJUUTOHLNAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O3/c1-3-25-17-12-15(19(24)21-18-8-11-23(2)22-18)4-5-16(17)26-13-14-6-9-20-10-7-14/h4-12H,3,13H2,1-2H3,(H,21,22,24).
What are the key properties of 3-ethoxy-N-(1-methylpyrazol-3-yl)-4-(pyridin-4-ylmethoxy)benzamide?
3-ethoxy-N-(1-methylpyrazol-3-yl)-4-(pyridin-4-ylmethoxy)benzamide has a molecular weight of 352.39 g/mol, XLogP of 3.05, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-N-(1-methylpyrazol-3-yl)-4-(pyridin-4-ylmethoxy)benzamide is sourced from PubChem (CID 39681534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).