3-methoxy-N-(3-pyridin-4-yl-4,5-dihydro-1H-pyrazol-5-yl)-4-(pyridin-2-ylmethoxy)benzamide

C22H21N5O3 — CID 145103722

IUPAC3-methoxy-N-(3-pyridin-4-yl-4,5-dihydro-1H-pyrazol-5-yl)-4-(pyridin-2-ylmethoxy)benzamide
SMILESCOc1cc(C(=O)NC2CC(c3ccncc3)=NN2)ccc1OCc1ccccn1
InChIInChI=1S/C22H21N5O3/c1-29-20-12-16(5-6-19(20)30-14-17-4-2-3-9-24-17)22(28)25-21-13-18(26-27-21)15-7-10-23-11-8-15/h2-12,21,27H,13-14H2,1H3,(H,25,28)
InChIKeyVSYJUXUROHKVFS-UHFFFAOYSA-N
MW403.44 g/mol
LogP2.52
Rot. Bonds7

About 3-methoxy-N-(3-pyridin-4-yl-4,5-dihydro-1H-pyrazol-5-yl)-4-(pyridin-2-ylmethoxy)benzamide

3-methoxy-N-(3-pyridin-4-yl-4,5-dihydro-1H-pyrazol-5-yl)-4-(pyridin-2-ylmethoxy)benzamide (PubChem CID 145103722) has the molecular formula C22H21N5O3 and a molecular weight of 403.44 g/mol. Its IUPAC name is 3-methoxy-N-(3-pyridin-4-yl-4,5-dihydro-1H-pyrazol-5-yl)-4-(pyridin-2-ylmethoxy)benzamide.

Molecular Properties

Compound Name3-methoxy-N-(3-pyridin-4-yl-4,5-dihydro-1H-pyrazol-5-yl)-4-(pyridin-2-ylmethoxy)benzamide
PubChem CID145103722
Molecular FormulaC22H21N5O3
Molecular Weight403.44 g/mol
Exact Mass403.16
IUPAC Name3-methoxy-N-(3-pyridin-4-yl-4,5-dihydro-1H-pyrazol-5-yl)-4-(pyridin-2-ylmethoxy)benzamide
SMILESCOc1cc(C(=O)NC2CC(c3ccncc3)=NN2)ccc1OCc1ccccn1
InChIInChI=1S/C22H21N5O3/c1-29-20-12-16(5-6-19(20)30-14-17-4-2-3-9-24-17)22(28)25-21-13-18(26-27-21)15-7-10-23-11-8-15/h2-12,21,27H,13-14H2,1H3,(H,25,28)
InChIKeyVSYJUXUROHKVFS-UHFFFAOYSA-N
XLogP2.52
TPSA97.73 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.44
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 3-methoxy-N-(3-pyridin-4-yl-4,5-dihydro-1H-pyrazol-5-yl)-4-(pyridin-2-ylmethoxy)benzamide with MolForge

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Related Compounds

N-cyclopropyl-3-[[3-methoxy-4-(pyridin-2-ylmethoxy)benzoyl]amino]-4-methylbenzamide
CID 11419031
methyl 3-fluoro-4-(pyridin-2-ylmethoxy)benzoate
CID 69001811
methyl 3-methoxy-4-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methoxy]benzoate
CID 30786002
N-cyclopropyl-3-methoxy-4-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzamide
CID 35558311
methyl 3-methoxy-4-(pyridin-4-ylmethoxy)benzoate
CID 16785387
1-[3-methoxy-4-(methoxymethoxy)phenyl]-3-pyridin-4-ylpropane-1,3-dione
CID 134180652
N-[3-chloro-4-(pyridin-2-ylmethoxy)phenyl]benzamide
CID 175816662
N-(2-ethoxy-3-pyridinyl)-3-methoxy-4-phenylmethoxybenzamide
CID 34876331
4-[(4-chlorophenyl)methoxy]-3-methoxy-N-pyridin-2-ylbenzamide
CID 43016736
methyl 2-[2-methoxy-4-[(1-pyridin-2-ylpiperidin-4-yl)carbamoyl]phenoxy]acetate
CID 55776583
3-methoxy-N-(1-methylpiperidin-4-yl)-4-(1,3-thiazol-4-ylmethoxy)benzamide
CID 55824873
4-[(4-chlorophenyl)methoxy]-3-methoxy-N-methyl-N-(pyridin-2-ylmethyl)benzamide
CID 55958016

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-N-(3-pyridin-4-yl-4,5-dihydro-1H-pyrazol-5-yl)-4-(pyridin-2-ylmethoxy)benzamide?
The IUPAC name of 3-methoxy-N-(3-pyridin-4-yl-4,5-dihydro-1H-pyrazol-5-yl)-4-(pyridin-2-ylmethoxy)benzamide (CID 145103722) is 3-methoxy-N-(3-pyridin-4-yl-4,5-dihydro-1H-pyrazol-5-yl)-4-(pyridin-2-ylmethoxy)benzamide.
What is the SMILES notation for 3-methoxy-N-(3-pyridin-4-yl-4,5-dihydro-1H-pyrazol-5-yl)-4-(pyridin-2-ylmethoxy)benzamide?
The canonical SMILES for 3-methoxy-N-(3-pyridin-4-yl-4,5-dihydro-1H-pyrazol-5-yl)-4-(pyridin-2-ylmethoxy)benzamide is COc1cc(C(=O)NC2CC(c3ccncc3)=NN2)ccc1OCc1ccccn1.
What is the InChIKey of 3-methoxy-N-(3-pyridin-4-yl-4,5-dihydro-1H-pyrazol-5-yl)-4-(pyridin-2-ylmethoxy)benzamide?
The InChIKey is VSYJUXUROHKVFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N5O3/c1-29-20-12-16(5-6-19(20)30-14-17-4-2-3-9-24-17)22(28)25-21-13-18(26-27-21)15-7-10-23-11-8-15/h2-12,21,27H,13-14H2,1H3,(H,25,28).
What are the key properties of 3-methoxy-N-(3-pyridin-4-yl-4,5-dihydro-1H-pyrazol-5-yl)-4-(pyridin-2-ylmethoxy)benzamide?
3-methoxy-N-(3-pyridin-4-yl-4,5-dihydro-1H-pyrazol-5-yl)-4-(pyridin-2-ylmethoxy)benzamide has a molecular weight of 403.44 g/mol, XLogP of 2.52, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-N-(3-pyridin-4-yl-4,5-dihydro-1H-pyrazol-5-yl)-4-(pyridin-2-ylmethoxy)benzamide is sourced from PubChem (CID 145103722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).