6-[[2-(hydroxymethyl)cyclohexyl]amino]-N-methylpyridazine-3-carboxamide

C13H20N4O2 — CID 103718492

IUPAC6-[[2-(hydroxymethyl)cyclohexyl]amino]-N-methylpyridazine-3-carboxamide
SMILESCNC(=O)c1ccc(NC2CCCCC2CO)nn1
InChIInChI=1S/C13H20N4O2/c1-14-13(19)11-6-7-12(17-16-11)15-10-5-3-2-4-9(10)8-18/h6-7,9-10,18H,2-5,8H2,1H3,(H,14,19)(H,15,17)
InChIKeyNNNWVPPDIDENIF-UHFFFAOYSA-N
MW264.33 g/mol
LogP0.80
Rot. Bonds4

About 6-[[2-(hydroxymethyl)cyclohexyl]amino]-N-methylpyridazine-3-carboxamide

6-[[2-(hydroxymethyl)cyclohexyl]amino]-N-methylpyridazine-3-carboxamide (PubChem CID 103718492) has the molecular formula C13H20N4O2 and a molecular weight of 264.33 g/mol. Its IUPAC name is 6-[[2-(hydroxymethyl)cyclohexyl]amino]-N-methylpyridazine-3-carboxamide.

Molecular Properties

Compound Name6-[[2-(hydroxymethyl)cyclohexyl]amino]-N-methylpyridazine-3-carboxamide
PubChem CID103718492
Molecular FormulaC13H20N4O2
Molecular Weight264.33 g/mol
Exact Mass264.16
IUPAC Name6-[[2-(hydroxymethyl)cyclohexyl]amino]-N-methylpyridazine-3-carboxamide
SMILESCNC(=O)c1ccc(NC2CCCCC2CO)nn1
InChIInChI=1S/C13H20N4O2/c1-14-13(19)11-6-7-12(17-16-11)15-10-5-3-2-4-9(10)8-18/h6-7,9-10,18H,2-5,8H2,1H3,(H,14,19)(H,15,17)
InChIKeyNNNWVPPDIDENIF-UHFFFAOYSA-N
XLogP0.80
TPSA87.14 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.33
LogP ≤ 50.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

6-[[(1S,2S)-2-hydroxycyclohexyl]amino]-N-methylpyridazine-3-carboxamide
CID 133495244
methyl 6-[[2-(hydroxymethyl)cyclohexyl]amino]pyridazine-3-carboxylate
CID 106362330
6-[[(1R,2R)-2-methoxycycloheptyl]amino]-N-methylpyridazine-3-carboxamide
CID 99848252
N-methyl-6-[[2-[2-(trifluoromethyl)phenyl]cyclopentyl]amino]pyridazine-3-carboxamide
CID 133422244
6-[(1-ethylpiperidin-4-yl)amino]-N-methylpyridazine-3-carboxamide
CID 79210349
N-methyl-6-(oxan-3-ylamino)pyridazine-3-carboxamide
CID 79208062
6-[(1-cyclohexyl-3-hydroxypropyl)amino]-N-methylpyridazine-3-carboxamide
CID 133339706
methyl 6-[[(1R,2R)-2-aminocyclohexyl]amino]pyridazine-3-carboxylate
CID 93454058
6-(2-cyclobutylethylamino)-N-methylpyridazine-3-carboxamide
CID 115689939
6-[[(3R,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]amino]-N-methylpyridazine-3-carboxamide
CID 162636079
[2-(pyridin-2-ylamino)cyclohexyl]methanol
CID 106362177
[2-[[2-methyl-6-(methylamino)pyrimidin-4-yl]amino]cyclohexyl]methanol
CID 106368257

Frequently Asked Questions

What is the IUPAC name of 6-[[2-(hydroxymethyl)cyclohexyl]amino]-N-methylpyridazine-3-carboxamide?
The IUPAC name of 6-[[2-(hydroxymethyl)cyclohexyl]amino]-N-methylpyridazine-3-carboxamide (CID 103718492) is 6-[[2-(hydroxymethyl)cyclohexyl]amino]-N-methylpyridazine-3-carboxamide.
What is the SMILES notation for 6-[[2-(hydroxymethyl)cyclohexyl]amino]-N-methylpyridazine-3-carboxamide?
The canonical SMILES for 6-[[2-(hydroxymethyl)cyclohexyl]amino]-N-methylpyridazine-3-carboxamide is CNC(=O)c1ccc(NC2CCCCC2CO)nn1.
What is the InChIKey of 6-[[2-(hydroxymethyl)cyclohexyl]amino]-N-methylpyridazine-3-carboxamide?
The InChIKey is NNNWVPPDIDENIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O2/c1-14-13(19)11-6-7-12(17-16-11)15-10-5-3-2-4-9(10)8-18/h6-7,9-10,18H,2-5,8H2,1H3,(H,14,19)(H,15,17).
What are the key properties of 6-[[2-(hydroxymethyl)cyclohexyl]amino]-N-methylpyridazine-3-carboxamide?
6-[[2-(hydroxymethyl)cyclohexyl]amino]-N-methylpyridazine-3-carboxamide has a molecular weight of 264.33 g/mol, XLogP of 0.80, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[2-(hydroxymethyl)cyclohexyl]amino]-N-methylpyridazine-3-carboxamide is sourced from PubChem (CID 103718492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).