6-(4-chloro-2-methoxyphenyl)-5-methyl-N-[(3R)-1-methylpiperidin-3-yl]pyridazin-3-amine

C18H23ClN4O — CID 167137954

IUPAC6-(4-chloro-2-methoxyphenyl)-5-methyl-N-[(3R)-1-methylpiperidin-3-yl]pyridazin-3-amine
SMILESCOc1cc(Cl)ccc1-c1nnc(N[C@@H]2CCCN(C)C2)cc1C
InChIInChI=1S/C18H23ClN4O/c1-12-9-17(20-14-5-4-8-23(2)11-14)21-22-18(12)15-7-6-13(19)10-16(15)24-3/h6-7,9-10,14H,4-5,8,11H2,1-3H3,(H,20,21)/t14-/m1/s1
InChIKeyVIJRBCCQPWHURJ-CQSZACIVSA-N
MW346.86 g/mol
LogP3.62
Rot. Bonds4

About 6-(4-chloro-2-methoxyphenyl)-5-methyl-N-[(3R)-1-methylpiperidin-3-yl]pyridazin-3-amine

6-(4-chloro-2-methoxyphenyl)-5-methyl-N-[(3R)-1-methylpiperidin-3-yl]pyridazin-3-amine (PubChem CID 167137954) has the molecular formula C18H23ClN4O and a molecular weight of 346.86 g/mol. Its IUPAC name is 6-(4-chloro-2-methoxyphenyl)-5-methyl-N-[(3R)-1-methylpiperidin-3-yl]pyridazin-3-amine.

Molecular Properties

Compound Name6-(4-chloro-2-methoxyphenyl)-5-methyl-N-[(3R)-1-methylpiperidin-3-yl]pyridazin-3-amine
PubChem CID167137954
Molecular FormulaC18H23ClN4O
Molecular Weight346.86 g/mol
Exact Mass346.16
IUPAC Name6-(4-chloro-2-methoxyphenyl)-5-methyl-N-[(3R)-1-methylpiperidin-3-yl]pyridazin-3-amine
SMILESCOc1cc(Cl)ccc1-c1nnc(N[C@@H]2CCCN(C)C2)cc1C
InChIInChI=1S/C18H23ClN4O/c1-12-9-17(20-14-5-4-8-23(2)11-14)21-22-18(12)15-7-6-13(19)10-16(15)24-3/h6-7,9-10,14H,4-5,8,11H2,1-3H3,(H,20,21)/t14-/m1/s1
InChIKeyVIJRBCCQPWHURJ-CQSZACIVSA-N
XLogP3.62
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.86
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-(2-methoxy-4-methylsulfonylphenyl)-5-methyl-N-[(3R)-1-methylpiperidin-3-yl]pyridazin-3-amine
CID 171586047
6-(3-methoxy-4-pyridinyl)-5-methyl-N-[(3R)-1-methylpiperidin-3-yl]pyridazin-3-amine
CID 167137767
6-(5-methoxy-2,3-dihydro-1H-inden-4-yl)-5-methyl-N-[(3R)-1-methylpiperidin-3-yl]pyridazin-3-amine
CID 172518745
6-(8-methoxyquinolin-7-yl)-5-methyl-N-[(3S)-1-methylpiperidin-3-yl]pyridazin-3-amine
CID 171586094
5-[4-methyl-6-[[(3R)-1-methylpiperidin-3-yl]amino]pyridazin-3-yl]-2,3-dihydro-1H-inden-4-ol
CID 164544830
6-[4-methyl-6-[[(3R)-1-methylpiperidin-3-yl]amino]pyridazin-3-yl]-2,3-dihydro-1H-inden-5-ol
CID 164544832
2-[4-methyl-6-[[(3S)-1-methylpiperidin-3-yl]amino]pyridazin-3-yl]-5-phenylphenol
CID 170442310
2-[4-methyl-6-[[(3S)-1-methylpiperidin-3-yl]amino]pyridazin-3-yl]-5-methylsulfonylphenol
CID 170442521
2-methyl-6-[4-methyl-6-[[(3R)-1-methylpiperidin-3-yl]amino]pyridazin-3-yl]-3-(trifluoromethyl)phenol
CID 170381964
5-chloro-2-[5-methyl-6-[[(3R)-1-methylpiperidin-3-yl]amino]pyridazin-3-yl]phenol
CID 170381656
6-(5-ethyl-2-pyridinyl)-5-methyl-N-(1-methylpiperidin-3-yl)pyridazin-3-amine
CID 175435295
2-(4-chloro-2-methoxyphenyl)-N-[(3R)-1-methylpiperidin-3-yl]pyrazolo[3,4-b]pyridin-6-amine
CID 170743484

Frequently Asked Questions

What is the IUPAC name of 6-(4-chloro-2-methoxyphenyl)-5-methyl-N-[(3R)-1-methylpiperidin-3-yl]pyridazin-3-amine?
The IUPAC name of 6-(4-chloro-2-methoxyphenyl)-5-methyl-N-[(3R)-1-methylpiperidin-3-yl]pyridazin-3-amine (CID 167137954) is 6-(4-chloro-2-methoxyphenyl)-5-methyl-N-[(3R)-1-methylpiperidin-3-yl]pyridazin-3-amine.
What is the SMILES notation for 6-(4-chloro-2-methoxyphenyl)-5-methyl-N-[(3R)-1-methylpiperidin-3-yl]pyridazin-3-amine?
The canonical SMILES for 6-(4-chloro-2-methoxyphenyl)-5-methyl-N-[(3R)-1-methylpiperidin-3-yl]pyridazin-3-amine is COc1cc(Cl)ccc1-c1nnc(N[C@@H]2CCCN(C)C2)cc1C.
What is the InChIKey of 6-(4-chloro-2-methoxyphenyl)-5-methyl-N-[(3R)-1-methylpiperidin-3-yl]pyridazin-3-amine?
The InChIKey is VIJRBCCQPWHURJ-CQSZACIVSA-N. The full InChI is InChI=1S/C18H23ClN4O/c1-12-9-17(20-14-5-4-8-23(2)11-14)21-22-18(12)15-7-6-13(19)10-16(15)24-3/h6-7,9-10,14H,4-5,8,11H2,1-3H3,(H,20,21)/t14-/m1/s1.
What are the key properties of 6-(4-chloro-2-methoxyphenyl)-5-methyl-N-[(3R)-1-methylpiperidin-3-yl]pyridazin-3-amine?
6-(4-chloro-2-methoxyphenyl)-5-methyl-N-[(3R)-1-methylpiperidin-3-yl]pyridazin-3-amine has a molecular weight of 346.86 g/mol, XLogP of 3.62, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-chloro-2-methoxyphenyl)-5-methyl-N-[(3R)-1-methylpiperidin-3-yl]pyridazin-3-amine is sourced from PubChem (CID 167137954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).