N-[(1-hydroxycyclobutyl)methyl]-3-[(6-methylpyridazin-3-yl)amino]benzamide

C17H20N4O2 — CID 111539779

IUPACN-[(1-hydroxycyclobutyl)methyl]-3-[(6-methylpyridazin-3-yl)amino]benzamide
SMILESCc1ccc(Nc2cccc(C(=O)NCC3(O)CCC3)c2)nn1
InChIInChI=1S/C17H20N4O2/c1-12-6-7-15(21-20-12)19-14-5-2-4-13(10-14)16(22)18-11-17(23)8-3-9-17/h2,4-7,10,23H,3,8-9,11H2,1H3,(H,18,22)(H,19,21)
InChIKeyBPTJHNIMBIZMSK-UHFFFAOYSA-N
MW312.37 g/mol
LogP2.17
Rot. Bonds5

About N-[(1-hydroxycyclobutyl)methyl]-3-[(6-methylpyridazin-3-yl)amino]benzamide

N-[(1-hydroxycyclobutyl)methyl]-3-[(6-methylpyridazin-3-yl)amino]benzamide (PubChem CID 111539779) has the molecular formula C17H20N4O2 and a molecular weight of 312.37 g/mol. Its IUPAC name is N-[(1-hydroxycyclobutyl)methyl]-3-[(6-methylpyridazin-3-yl)amino]benzamide.

Molecular Properties

Compound NameN-[(1-hydroxycyclobutyl)methyl]-3-[(6-methylpyridazin-3-yl)amino]benzamide
PubChem CID111539779
Molecular FormulaC17H20N4O2
Molecular Weight312.37 g/mol
Exact Mass312.16
IUPAC NameN-[(1-hydroxycyclobutyl)methyl]-3-[(6-methylpyridazin-3-yl)amino]benzamide
SMILESCc1ccc(Nc2cccc(C(=O)NCC3(O)CCC3)c2)nn1
InChIInChI=1S/C17H20N4O2/c1-12-6-7-15(21-20-12)19-14-5-2-4-13(10-14)16(22)18-11-17(23)8-3-9-17/h2,4-7,10,23H,3,8-9,11H2,1H3,(H,18,22)(H,19,21)
InChIKeyBPTJHNIMBIZMSK-UHFFFAOYSA-N
XLogP2.17
TPSA87.14 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.37
LogP ≤ 52.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(1-hydroxycyclohexyl)methyl]-3-methylbenzamide
CID 64868051
3-[(3,5-dimethylpyrazol-1-yl)methyl]-N-[(1-hydroxycyclopentyl)methyl]benzamide
CID 111331403
N-[2-[(1-hydroxycyclobutyl)methylamino]-2-oxoethyl]-3-methylbenzamide
CID 111696598
3-bromo-N-[4-[(6-methylpyridazin-3-yl)amino]phenyl]benzamide
CID 56699999
3-(dimethylamino)-N-[(1-hydroxycycloheptyl)methyl]benzamide
CID 65123540
N-[(1-hydroxycyclobutyl)methyl]naphthalene-2-carboxamide
CID 111445480
N-[(1-hydroxycyclohexyl)methyl]-3-methylsulfonylbenzamide
CID 64866337
3-ethoxy-N-[(1-hydroxycyclohexyl)methyl]benzamide
CID 111446107
3-(cyclopropylcarbamoylamino)-N-[(1-hydroxycycloheptyl)methyl]benzamide
CID 167923901
N-[(1-hydroxycyclobutyl)methyl]-1,2-dimethylbenzimidazole-5-carboxamide
CID 111445697
N-[(1-hydroxycyclobutyl)methyl]-5-methylpyridine-3-carboxamide
CID 111539461
2-hydroxy-N-[(1-hydroxycyclohexyl)methyl]-3-methylbenzamide
CID 65113571

Frequently Asked Questions

What is the IUPAC name of N-[(1-hydroxycyclobutyl)methyl]-3-[(6-methylpyridazin-3-yl)amino]benzamide?
The IUPAC name of N-[(1-hydroxycyclobutyl)methyl]-3-[(6-methylpyridazin-3-yl)amino]benzamide (CID 111539779) is N-[(1-hydroxycyclobutyl)methyl]-3-[(6-methylpyridazin-3-yl)amino]benzamide.
What is the SMILES notation for N-[(1-hydroxycyclobutyl)methyl]-3-[(6-methylpyridazin-3-yl)amino]benzamide?
The canonical SMILES for N-[(1-hydroxycyclobutyl)methyl]-3-[(6-methylpyridazin-3-yl)amino]benzamide is Cc1ccc(Nc2cccc(C(=O)NCC3(O)CCC3)c2)nn1.
What is the InChIKey of N-[(1-hydroxycyclobutyl)methyl]-3-[(6-methylpyridazin-3-yl)amino]benzamide?
The InChIKey is BPTJHNIMBIZMSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O2/c1-12-6-7-15(21-20-12)19-14-5-2-4-13(10-14)16(22)18-11-17(23)8-3-9-17/h2,4-7,10,23H,3,8-9,11H2,1H3,(H,18,22)(H,19,21).
What are the key properties of N-[(1-hydroxycyclobutyl)methyl]-3-[(6-methylpyridazin-3-yl)amino]benzamide?
N-[(1-hydroxycyclobutyl)methyl]-3-[(6-methylpyridazin-3-yl)amino]benzamide has a molecular weight of 312.37 g/mol, XLogP of 2.17, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-hydroxycyclobutyl)methyl]-3-[(6-methylpyridazin-3-yl)amino]benzamide is sourced from PubChem (CID 111539779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).