6-[[2-(3,4-dichlorophenyl)cyclopropyl]amino]-N-methylpyridazine-3-carboxamide

C15H14Cl2N4O — CID 133329234

IUPAC6-[[2-(3,4-dichlorophenyl)cyclopropyl]amino]-N-methylpyridazine-3-carboxamide
SMILESCNC(=O)c1ccc(NC2CC2c2ccc(Cl)c(Cl)c2)nn1
InChIInChI=1S/C15H14Cl2N4O/c1-18-15(22)12-4-5-14(21-20-12)19-13-7-9(13)8-2-3-10(16)11(17)6-8/h2-6,9,13H,7H2,1H3,(H,18,22)(H,19,21)
InChIKeyPNUMPABVMXIYLM-UHFFFAOYSA-N
MW337.21 g/mol
LogP3.11
Rot. Bonds4

About 6-[[2-(3,4-dichlorophenyl)cyclopropyl]amino]-N-methylpyridazine-3-carboxamide

6-[[2-(3,4-dichlorophenyl)cyclopropyl]amino]-N-methylpyridazine-3-carboxamide (PubChem CID 133329234) has the molecular formula C15H14Cl2N4O and a molecular weight of 337.21 g/mol. Its IUPAC name is 6-[[2-(3,4-dichlorophenyl)cyclopropyl]amino]-N-methylpyridazine-3-carboxamide.

Molecular Properties

Compound Name6-[[2-(3,4-dichlorophenyl)cyclopropyl]amino]-N-methylpyridazine-3-carboxamide
PubChem CID133329234
Molecular FormulaC15H14Cl2N4O
Molecular Weight337.21 g/mol
Exact Mass336.05
IUPAC Name6-[[2-(3,4-dichlorophenyl)cyclopropyl]amino]-N-methylpyridazine-3-carboxamide
SMILESCNC(=O)c1ccc(NC2CC2c2ccc(Cl)c(Cl)c2)nn1
InChIInChI=1S/C15H14Cl2N4O/c1-18-15(22)12-4-5-14(21-20-12)19-13-7-9(13)8-2-3-10(16)11(17)6-8/h2-6,9,13H,7H2,1H3,(H,18,22)(H,19,21)
InChIKeyPNUMPABVMXIYLM-UHFFFAOYSA-N
XLogP3.11
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.21
LogP ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-[[(1S,2S)-2-hydroxycyclohexyl]amino]-N-methylpyridazine-3-carboxamide
CID 133495244
6-[[2-(hydroxymethyl)cyclohexyl]amino]-N-methylpyridazine-3-carboxamide
CID 103718492
6-[[(1R,2R)-2-methoxycycloheptyl]amino]-N-methylpyridazine-3-carboxamide
CID 99848252
6-(methylamino)-N-(2-methylcyclopropyl)pyridazine-3-carboxamide
CID 62409624
N-methyl-6-[[2-[2-(trifluoromethyl)phenyl]cyclopentyl]amino]pyridazine-3-carboxamide
CID 133422244
6-[(2-cyclopropyloxan-4-yl)amino]-N-methylpyridazine-3-carboxamide
CID 133473132
N-methyl-6-[(1-methyl-2,5-dioxopyrrolidin-3-yl)amino]pyridazine-3-carboxamide
CID 79905237
N-methyl-6-(oxan-3-ylamino)pyridazine-3-carboxamide
CID 79208062
6-[(1-ethylpiperidin-4-yl)amino]-N-methylpyridazine-3-carboxamide
CID 79210349
1-[2-(3,4-dichlorophenyl)cyclopropyl]ethanone
CID 43150273
cis-(1R,2S)-2-(3,4-dichlorophenyl)cyclopropane-1-carboxamide
CID 95245016
6-[[(3R,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]amino]-N-methylpyridazine-3-carboxamide
CID 162636079

Frequently Asked Questions

What is the IUPAC name of 6-[[2-(3,4-dichlorophenyl)cyclopropyl]amino]-N-methylpyridazine-3-carboxamide?
The IUPAC name of 6-[[2-(3,4-dichlorophenyl)cyclopropyl]amino]-N-methylpyridazine-3-carboxamide (CID 133329234) is 6-[[2-(3,4-dichlorophenyl)cyclopropyl]amino]-N-methylpyridazine-3-carboxamide.
What is the SMILES notation for 6-[[2-(3,4-dichlorophenyl)cyclopropyl]amino]-N-methylpyridazine-3-carboxamide?
The canonical SMILES for 6-[[2-(3,4-dichlorophenyl)cyclopropyl]amino]-N-methylpyridazine-3-carboxamide is CNC(=O)c1ccc(NC2CC2c2ccc(Cl)c(Cl)c2)nn1.
What is the InChIKey of 6-[[2-(3,4-dichlorophenyl)cyclopropyl]amino]-N-methylpyridazine-3-carboxamide?
The InChIKey is PNUMPABVMXIYLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14Cl2N4O/c1-18-15(22)12-4-5-14(21-20-12)19-13-7-9(13)8-2-3-10(16)11(17)6-8/h2-6,9,13H,7H2,1H3,(H,18,22)(H,19,21).
What are the key properties of 6-[[2-(3,4-dichlorophenyl)cyclopropyl]amino]-N-methylpyridazine-3-carboxamide?
6-[[2-(3,4-dichlorophenyl)cyclopropyl]amino]-N-methylpyridazine-3-carboxamide has a molecular weight of 337.21 g/mol, XLogP of 3.11, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[2-(3,4-dichlorophenyl)cyclopropyl]amino]-N-methylpyridazine-3-carboxamide is sourced from PubChem (CID 133329234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).