N-[[1-[(3-hydroxyphenyl)methyl]piperidin-3-yl]methyl]pyridazine-3-carboxamide

C18H22N4O2 — CID 56706938

IUPACN-[[1-[(3-hydroxyphenyl)methyl]piperidin-3-yl]methyl]pyridazine-3-carboxamide
SMILESO=C(NCC1CCCN(Cc2cccc(O)c2)C1)c1cccnn1
InChIInChI=1S/C18H22N4O2/c23-16-6-1-4-14(10-16)12-22-9-3-5-15(13-22)11-19-18(24)17-7-2-8-20-21-17/h1-2,4,6-8,10,15,23H,3,5,9,11-13H2,(H,19,24)
InChIKeyOATPMKDBTJVXGD-UHFFFAOYSA-N
MW326.40 g/mol
LogP1.82
Rot. Bonds5

About N-[[1-[(3-hydroxyphenyl)methyl]piperidin-3-yl]methyl]pyridazine-3-carboxamide

N-[[1-[(3-hydroxyphenyl)methyl]piperidin-3-yl]methyl]pyridazine-3-carboxamide (PubChem CID 56706938) has the molecular formula C18H22N4O2 and a molecular weight of 326.40 g/mol. Its IUPAC name is N-[[1-[(3-hydroxyphenyl)methyl]piperidin-3-yl]methyl]pyridazine-3-carboxamide.

Molecular Properties

Compound NameN-[[1-[(3-hydroxyphenyl)methyl]piperidin-3-yl]methyl]pyridazine-3-carboxamide
PubChem CID56706938
Molecular FormulaC18H22N4O2
Molecular Weight326.40 g/mol
Exact Mass326.17
IUPAC NameN-[[1-[(3-hydroxyphenyl)methyl]piperidin-3-yl]methyl]pyridazine-3-carboxamide
SMILESO=C(NCC1CCCN(Cc2cccc(O)c2)C1)c1cccnn1
InChIInChI=1S/C18H22N4O2/c23-16-6-1-4-14(10-16)12-22-9-3-5-15(13-22)11-19-18(24)17-7-2-8-20-21-17/h1-2,4,6-8,10,15,23H,3,5,9,11-13H2,(H,19,24)
InChIKeyOATPMKDBTJVXGD-UHFFFAOYSA-N
XLogP1.82
TPSA78.35 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[[1-[(3-hydroxyphenyl)methyl]piperidin-3-yl]methyl]pyridazine-3-carboxamide?
The IUPAC name of N-[[1-[(3-hydroxyphenyl)methyl]piperidin-3-yl]methyl]pyridazine-3-carboxamide (CID 56706938) is N-[[1-[(3-hydroxyphenyl)methyl]piperidin-3-yl]methyl]pyridazine-3-carboxamide.
What is the SMILES notation for N-[[1-[(3-hydroxyphenyl)methyl]piperidin-3-yl]methyl]pyridazine-3-carboxamide?
The canonical SMILES for N-[[1-[(3-hydroxyphenyl)methyl]piperidin-3-yl]methyl]pyridazine-3-carboxamide is O=C(NCC1CCCN(Cc2cccc(O)c2)C1)c1cccnn1.
What is the InChIKey of N-[[1-[(3-hydroxyphenyl)methyl]piperidin-3-yl]methyl]pyridazine-3-carboxamide?
The InChIKey is OATPMKDBTJVXGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O2/c23-16-6-1-4-14(10-16)12-22-9-3-5-15(13-22)11-19-18(24)17-7-2-8-20-21-17/h1-2,4,6-8,10,15,23H,3,5,9,11-13H2,(H,19,24).
What are the key properties of N-[[1-[(3-hydroxyphenyl)methyl]piperidin-3-yl]methyl]pyridazine-3-carboxamide?
N-[[1-[(3-hydroxyphenyl)methyl]piperidin-3-yl]methyl]pyridazine-3-carboxamide has a molecular weight of 326.40 g/mol, XLogP of 1.82, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[(3-hydroxyphenyl)methyl]piperidin-3-yl]methyl]pyridazine-3-carboxamide is sourced from PubChem (CID 56706938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).