5-(6-phenylmethoxypyridazin-3-yl)-3,6-dihydro-2H-pyridine-1-carboxylic acid

C17H17N3O3 — CID 175468368

IUPAC5-(6-phenylmethoxypyridazin-3-yl)-3,6-dihydro-2H-pyridine-1-carboxylic acid
SMILESO=C(O)N1CCC=C(c2ccc(OCc3ccccc3)nn2)C1
InChIInChI=1S/C17H17N3O3/c21-17(22)20-10-4-7-14(11-20)15-8-9-16(19-18-15)23-12-13-5-2-1-3-6-13/h1-3,5-9H,4,10-12H2,(H,21,22)
InChIKeyDPSOHHPSBAHFAU-UHFFFAOYSA-N
MW311.34 g/mol
LogP2.82
Rot. Bonds4

About 5-(6-phenylmethoxypyridazin-3-yl)-3,6-dihydro-2H-pyridine-1-carboxylic acid

5-(6-phenylmethoxypyridazin-3-yl)-3,6-dihydro-2H-pyridine-1-carboxylic acid (PubChem CID 175468368) has the molecular formula C17H17N3O3 and a molecular weight of 311.34 g/mol. Its IUPAC name is 5-(6-phenylmethoxypyridazin-3-yl)-3,6-dihydro-2H-pyridine-1-carboxylic acid.

Molecular Properties

Compound Name5-(6-phenylmethoxypyridazin-3-yl)-3,6-dihydro-2H-pyridine-1-carboxylic acid
PubChem CID175468368
Molecular FormulaC17H17N3O3
Molecular Weight311.34 g/mol
Exact Mass311.13
IUPAC Name5-(6-phenylmethoxypyridazin-3-yl)-3,6-dihydro-2H-pyridine-1-carboxylic acid
SMILESO=C(O)N1CCC=C(c2ccc(OCc3ccccc3)nn2)C1
InChIInChI=1S/C17H17N3O3/c21-17(22)20-10-4-7-14(11-20)15-8-9-16(19-18-15)23-12-13-5-2-1-3-6-13/h1-3,5-9H,4,10-12H2,(H,21,22)
InChIKeyDPSOHHPSBAHFAU-UHFFFAOYSA-N
XLogP2.82
TPSA75.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.34
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-N-[5-(cyclopropylmethoxy)-2-pyridinyl]-2-[5-(6-phenylmethoxypyridazin-3-yl)-3,6-dihydro-2H-pyridin-1-yl]propanamide
CID 164734679
3,6-bis(phenylmethoxy)pyridazine
CID 68982842
benzyl 5-(6-cyano-5-phenyl-2-pyridinyl)-3,6-dihydro-2H-pyridine-1-carboxylate
CID 66612744
4-[(6-phenylmethoxy-2-pyridinyl)oxy]piperidine-1-carboxylic acid
CID 68924039
benzyl 5-bromo-3,6-dihydro-2H-pyridine-1-carboxylate
CID 138039619
(6-phenylmethoxypyridazin-3-yl) trifluoromethanesulfonate
CID 87696274
5-oxo-4-(4-phenylbutanoylamino)-5-(5-pyridin-2-yl-3,6-dihydro-2H-pyridin-1-yl)pentanamide
CID 154852515
(6-phenylmethoxypyridazin-3-yl)methanamine
CID 62291717
2-(4-chlorophenyl)-1-(5-pyridin-2-yl-3,6-dihydro-2H-pyridin-1-yl)ethanone
CID 25057185
4-(4-phenylmethoxyphenyl)-3,6-dihydro-2H-pyridine-1,5-dicarboxylic acid
CID 91248689
tert-butyl (3S)-3-methyl-4-(6-phenylmethoxypyridazin-3-yl)piperazine-1-carboxylate
CID 178116354
1-(2-phenylmethoxy-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)propan-1-one
CID 123629266

Frequently Asked Questions

What is the IUPAC name of 5-(6-phenylmethoxypyridazin-3-yl)-3,6-dihydro-2H-pyridine-1-carboxylic acid?
The IUPAC name of 5-(6-phenylmethoxypyridazin-3-yl)-3,6-dihydro-2H-pyridine-1-carboxylic acid (CID 175468368) is 5-(6-phenylmethoxypyridazin-3-yl)-3,6-dihydro-2H-pyridine-1-carboxylic acid.
What is the SMILES notation for 5-(6-phenylmethoxypyridazin-3-yl)-3,6-dihydro-2H-pyridine-1-carboxylic acid?
The canonical SMILES for 5-(6-phenylmethoxypyridazin-3-yl)-3,6-dihydro-2H-pyridine-1-carboxylic acid is O=C(O)N1CCC=C(c2ccc(OCc3ccccc3)nn2)C1.
What is the InChIKey of 5-(6-phenylmethoxypyridazin-3-yl)-3,6-dihydro-2H-pyridine-1-carboxylic acid?
The InChIKey is DPSOHHPSBAHFAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O3/c21-17(22)20-10-4-7-14(11-20)15-8-9-16(19-18-15)23-12-13-5-2-1-3-6-13/h1-3,5-9H,4,10-12H2,(H,21,22).
What are the key properties of 5-(6-phenylmethoxypyridazin-3-yl)-3,6-dihydro-2H-pyridine-1-carboxylic acid?
5-(6-phenylmethoxypyridazin-3-yl)-3,6-dihydro-2H-pyridine-1-carboxylic acid has a molecular weight of 311.34 g/mol, XLogP of 2.82, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(6-phenylmethoxypyridazin-3-yl)-3,6-dihydro-2H-pyridine-1-carboxylic acid is sourced from PubChem (CID 175468368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).