N-[(3-hydroxycyclobutyl)-pyridin-2-ylmethyl]-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide

C15H18N4O3 — CID 91792638

IUPACN-[(3-hydroxycyclobutyl)-pyridin-2-ylmethyl]-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide
SMILESO=C1CCC(C(=O)NC(c2ccccn2)C2CC(O)C2)=NN1
InChIInChI=1S/C15H18N4O3/c20-10-7-9(8-10)14(11-3-1-2-6-16-11)17-15(22)12-4-5-13(21)19-18-12/h1-3,6,9-10,14,20H,4-5,7-8H2,(H,17,22)(H,19,21)
InChIKeyBHXRVJZMTAPBHK-UHFFFAOYSA-N
MW302.33 g/mol
LogP0.28
Rot. Bonds4

About N-[(3-hydroxycyclobutyl)-pyridin-2-ylmethyl]-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide

N-[(3-hydroxycyclobutyl)-pyridin-2-ylmethyl]-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide (PubChem CID 91792638) has the molecular formula C15H18N4O3 and a molecular weight of 302.33 g/mol. Its IUPAC name is N-[(3-hydroxycyclobutyl)-pyridin-2-ylmethyl]-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide.

Molecular Properties

Compound NameN-[(3-hydroxycyclobutyl)-pyridin-2-ylmethyl]-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide
PubChem CID91792638
Molecular FormulaC15H18N4O3
Molecular Weight302.33 g/mol
Exact Mass302.14
IUPAC NameN-[(3-hydroxycyclobutyl)-pyridin-2-ylmethyl]-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide
SMILESO=C1CCC(C(=O)NC(c2ccccn2)C2CC(O)C2)=NN1
InChIInChI=1S/C15H18N4O3/c20-10-7-9(8-10)14(11-3-1-2-6-16-11)17-15(22)12-4-5-13(21)19-18-12/h1-3,6,9-10,14,20H,4-5,7-8H2,(H,17,22)(H,19,21)
InChIKeyBHXRVJZMTAPBHK-UHFFFAOYSA-N
XLogP0.28
TPSA103.68 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.33
LogP ≤ 50.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

6-oxo-N-(1-pyridin-2-ylethyl)-4,5-dihydro-1H-pyridazine-3-carboxamide
CID 43397582
N-[(3-hydroxycyclobutyl)-pyridin-2-ylmethyl]-3,4-dimethylbenzamide
CID 91773593
N-[(3-hydroxycyclobutyl)-pyridin-2-ylmethyl]quinoline-2-carboxamide
CID 91787622
5-ethyl-N-[(3-hydroxycyclobutyl)-pyridin-2-ylmethyl]-1H-pyrazole-4-carboxamide
CID 91768711
3-amino-N-[(3-hydroxycyclobutyl)-pyridin-2-ylmethyl]-1,2-thiazole-4-carboxamide
CID 91787083
3-(dimethylamino)-N-[(3-hydroxycyclobutyl)-pyridin-2-ylmethyl]benzamide
CID 91794811
N-[(3-hydroxycyclobutyl)-pyridin-2-ylmethyl]-1-benzoxepine-4-carboxamide
CID 91771820
N-[(3-hydroxycyclobutyl)-pyridin-2-ylmethyl]-2-(triazol-2-yl)acetamide
CID 91782416
N-[(3-hydroxycyclobutyl)-pyridin-2-ylmethyl]-2,3-dimethoxybenzamide
CID 91789954
6-fluoro-N-[(3-hydroxycyclobutyl)-pyridin-2-ylmethyl]-1H-benzimidazole-2-carboxamide
CID 91780138
N-[(3-hydroxycyclobutyl)-pyridin-2-ylmethyl]-2-methylimidazo[1,2-a]pyrimidine-3-carboxamide
CID 91780244
N-[(3-hydroxycyclobutyl)-pyridin-2-ylmethyl]-4-methyl-3-(2-oxoimidazolidin-1-yl)benzamide
CID 91785303

Frequently Asked Questions

What is the IUPAC name of N-[(3-hydroxycyclobutyl)-pyridin-2-ylmethyl]-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide?
The IUPAC name of N-[(3-hydroxycyclobutyl)-pyridin-2-ylmethyl]-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide (CID 91792638) is N-[(3-hydroxycyclobutyl)-pyridin-2-ylmethyl]-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide.
What is the SMILES notation for N-[(3-hydroxycyclobutyl)-pyridin-2-ylmethyl]-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide?
The canonical SMILES for N-[(3-hydroxycyclobutyl)-pyridin-2-ylmethyl]-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide is O=C1CCC(C(=O)NC(c2ccccn2)C2CC(O)C2)=NN1.
What is the InChIKey of N-[(3-hydroxycyclobutyl)-pyridin-2-ylmethyl]-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide?
The InChIKey is BHXRVJZMTAPBHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O3/c20-10-7-9(8-10)14(11-3-1-2-6-16-11)17-15(22)12-4-5-13(21)19-18-12/h1-3,6,9-10,14,20H,4-5,7-8H2,(H,17,22)(H,19,21).
What are the key properties of N-[(3-hydroxycyclobutyl)-pyridin-2-ylmethyl]-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide?
N-[(3-hydroxycyclobutyl)-pyridin-2-ylmethyl]-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide has a molecular weight of 302.33 g/mol, XLogP of 0.28, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-hydroxycyclobutyl)-pyridin-2-ylmethyl]-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide is sourced from PubChem (CID 91792638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).