6-[[1-(4-chlorophenyl)cyclopropyl]methylamino]-N-methylpyridazine-3-carboxamide

C16H17ClN4O — CID 133343744

IUPAC6-[[1-(4-chlorophenyl)cyclopropyl]methylamino]-N-methylpyridazine-3-carboxamide
SMILESCNC(=O)c1ccc(NCC2(c3ccc(Cl)cc3)CC2)nn1
InChIInChI=1S/C16H17ClN4O/c1-18-15(22)13-6-7-14(21-20-13)19-10-16(8-9-16)11-2-4-12(17)5-3-11/h2-7H,8-10H2,1H3,(H,18,22)(H,19,21)
InChIKeyGYNVETIWMMETSQ-UHFFFAOYSA-N
MW316.79 g/mol
LogP2.63
Rot. Bonds5

About 6-[[1-(4-chlorophenyl)cyclopropyl]methylamino]-N-methylpyridazine-3-carboxamide

6-[[1-(4-chlorophenyl)cyclopropyl]methylamino]-N-methylpyridazine-3-carboxamide (PubChem CID 133343744) has the molecular formula C16H17ClN4O and a molecular weight of 316.79 g/mol. Its IUPAC name is 6-[[1-(4-chlorophenyl)cyclopropyl]methylamino]-N-methylpyridazine-3-carboxamide.

Molecular Properties

Compound Name6-[[1-(4-chlorophenyl)cyclopropyl]methylamino]-N-methylpyridazine-3-carboxamide
PubChem CID133343744
Molecular FormulaC16H17ClN4O
Molecular Weight316.79 g/mol
Exact Mass316.11
IUPAC Name6-[[1-(4-chlorophenyl)cyclopropyl]methylamino]-N-methylpyridazine-3-carboxamide
SMILESCNC(=O)c1ccc(NCC2(c3ccc(Cl)cc3)CC2)nn1
InChIInChI=1S/C16H17ClN4O/c1-18-15(22)13-6-7-14(21-20-13)19-10-16(8-9-16)11-2-4-12(17)5-3-11/h2-7H,8-10H2,1H3,(H,18,22)(H,19,21)
InChIKeyGYNVETIWMMETSQ-UHFFFAOYSA-N
XLogP2.63
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.79
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-[[1-(3-chlorophenyl)-3-methylcyclobutyl]methylamino]-N-methylpyridazine-3-carboxamide
CID 170580579
6-[[1-(3-methoxyphenyl)cyclobutyl]methylamino]-N-methylpyridazine-3-carboxamide
CID 170579044
6-[[1-(3-cyanophenyl)cyclobutyl]methylamino]-N-methylpyridazine-3-carboxamide
CID 170580863
N-phenyl-6-[(4-phenyloxan-4-yl)methylamino]pyridazine-3-carboxamide
CID 133313852
6-[(4-methoxyoxan-4-yl)methylamino]-N-methylpyridazine-3-carboxamide
CID 133400022
6-(2-cyclobutylethylamino)-N-methylpyridazine-3-carboxamide
CID 115689939
6-(4-hydroxybutylamino)-N-methylpyridazine-3-carboxamide
CID 106842680
6-[[2-(2,6-dichlorophenyl)-2-hydroxyethyl]amino]-N-methylpyridazine-3-carboxamide
CID 133340200
6-[(4-hydroxyphenyl)methylamino]-N-methylpyridazine-3-carboxamide
CID 115669027
6-[(1-methylcyclopropyl)methylamino]pyridazine-3-carboxamide
CID 103724970
6-[[3-(tert-butylamino)-3-oxopropyl]amino]-N-methylpyridazine-3-carboxamide
CID 115669069
6-[2-(2-methoxyethoxy)ethylamino]-N-methylpyridazine-3-carboxamide
CID 79207000

Frequently Asked Questions

What is the IUPAC name of 6-[[1-(4-chlorophenyl)cyclopropyl]methylamino]-N-methylpyridazine-3-carboxamide?
The IUPAC name of 6-[[1-(4-chlorophenyl)cyclopropyl]methylamino]-N-methylpyridazine-3-carboxamide (CID 133343744) is 6-[[1-(4-chlorophenyl)cyclopropyl]methylamino]-N-methylpyridazine-3-carboxamide.
What is the SMILES notation for 6-[[1-(4-chlorophenyl)cyclopropyl]methylamino]-N-methylpyridazine-3-carboxamide?
The canonical SMILES for 6-[[1-(4-chlorophenyl)cyclopropyl]methylamino]-N-methylpyridazine-3-carboxamide is CNC(=O)c1ccc(NCC2(c3ccc(Cl)cc3)CC2)nn1.
What is the InChIKey of 6-[[1-(4-chlorophenyl)cyclopropyl]methylamino]-N-methylpyridazine-3-carboxamide?
The InChIKey is GYNVETIWMMETSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClN4O/c1-18-15(22)13-6-7-14(21-20-13)19-10-16(8-9-16)11-2-4-12(17)5-3-11/h2-7H,8-10H2,1H3,(H,18,22)(H,19,21).
What are the key properties of 6-[[1-(4-chlorophenyl)cyclopropyl]methylamino]-N-methylpyridazine-3-carboxamide?
6-[[1-(4-chlorophenyl)cyclopropyl]methylamino]-N-methylpyridazine-3-carboxamide has a molecular weight of 316.79 g/mol, XLogP of 2.63, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[1-(4-chlorophenyl)cyclopropyl]methylamino]-N-methylpyridazine-3-carboxamide is sourced from PubChem (CID 133343744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).