1-(5-chloro-8-methylpyrido[2,3-d]pyridazin-3-yl)-N,N-dimethylpiperidin-4-amine

C15H20ClN5 — CID 168954155

IUPAC1-(5-chloro-8-methylpyrido[2,3-d]pyridazin-3-yl)-N,N-dimethylpiperidin-4-amine
SMILESCc1nnc(Cl)c2cc(N3CCC(N(C)C)CC3)cnc12
InChIInChI=1S/C15H20ClN5/c1-10-14-13(15(16)19-18-10)8-12(9-17-14)21-6-4-11(5-7-21)20(2)3/h8-9,11H,4-7H2,1-3H3
InChIKeyKLPLWQBVAJQCOA-UHFFFAOYSA-N
MW305.81 g/mol
LogP2.52
Rot. Bonds2

About 1-(5-chloro-8-methylpyrido[2,3-d]pyridazin-3-yl)-N,N-dimethylpiperidin-4-amine

1-(5-chloro-8-methylpyrido[2,3-d]pyridazin-3-yl)-N,N-dimethylpiperidin-4-amine (PubChem CID 168954155) has the molecular formula C15H20ClN5 and a molecular weight of 305.81 g/mol. Its IUPAC name is 1-(5-chloro-8-methylpyrido[2,3-d]pyridazin-3-yl)-N,N-dimethylpiperidin-4-amine.

Molecular Properties

Compound Name1-(5-chloro-8-methylpyrido[2,3-d]pyridazin-3-yl)-N,N-dimethylpiperidin-4-amine
PubChem CID168954155
Molecular FormulaC15H20ClN5
Molecular Weight305.81 g/mol
Exact Mass305.14
IUPAC Name1-(5-chloro-8-methylpyrido[2,3-d]pyridazin-3-yl)-N,N-dimethylpiperidin-4-amine
SMILESCc1nnc(Cl)c2cc(N3CCC(N(C)C)CC3)cnc12
InChIInChI=1S/C15H20ClN5/c1-10-14-13(15(16)19-18-10)8-12(9-17-14)21-6-4-11(5-7-21)20(2)3/h8-9,11H,4-7H2,1-3H3
InChIKeyKLPLWQBVAJQCOA-UHFFFAOYSA-N
XLogP2.52
TPSA45.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.81
LogP ≤ 52.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-(5-chloro-8-methylpyrido[2,3-d]pyridazin-3-yl)-N,N-dimethylpiperidin-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(1R)-1-[5-[2-[(dimethylamino)methyl]phenyl]thiophen-2-yl]ethyl]-3-[4-(dimethylamino)piperidin-1-yl]-8-methylpyrido[2,3-d]pyridazin-5-amine
CID 168954178
1-[5-[[(1R)-1-(3-fluoro-2-methylphenyl)ethyl]amino]-8-methylpyrido[2,3-d]pyridazin-3-yl]piperidin-4-ol
CID 170111438
N,N-dimethyl-1-(6-propan-2-yl-3-pyridinyl)piperidin-4-amine
CID 153422507
1-[4-(4-chloro-5-methyl-1H-pyrrolo[2,3-b]pyridin-2-yl)phenyl]-N,N-dimethylpiperidin-4-amine
CID 164564176
(3R)-1-[8-methyl-5-[[(1R)-1-[3-(trifluoromethyl)phenyl]ethyl]amino]pyrido[2,3-d]pyridazin-3-yl]pyrrolidin-3-ol
CID 170112665
1-[(5,6-dichloro-3-pyridinyl)sulfonyl]-N,N-dimethylpiperidin-4-amine
CID 64606820
(3S)-1-[5-[[(1R)-1-(2,3-difluorophenyl)ethyl]amino]-8-methylpyrido[2,3-d]pyridazin-3-yl]pyrrolidin-3-ol
CID 170112055
1-[1-(4-chlorophthalazin-1-yl)piperidin-4-yl]-N,N-dimethylmethanamine
CID 62140804
1-[4-(chloromethyl)-3-methylphenyl]-N,N-dimethylpiperidin-4-amine
CID 55039069
1-(3-amino-4-methylphenyl)-N,N-dimethylpiperidin-4-amine
CID 55130361
N,N-dimethyl-1-(4-methyl-1H-pyrrolo[3,2-c]pyridin-7-yl)piperidin-4-amine
CID 155458536
(3R)-1-(6-chloro-5-methyl-3-pyridinyl)pyrrolidin-3-amine
CID 131173225

Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-8-methylpyrido[2,3-d]pyridazin-3-yl)-N,N-dimethylpiperidin-4-amine?
The IUPAC name of 1-(5-chloro-8-methylpyrido[2,3-d]pyridazin-3-yl)-N,N-dimethylpiperidin-4-amine (CID 168954155) is 1-(5-chloro-8-methylpyrido[2,3-d]pyridazin-3-yl)-N,N-dimethylpiperidin-4-amine.
What is the SMILES notation for 1-(5-chloro-8-methylpyrido[2,3-d]pyridazin-3-yl)-N,N-dimethylpiperidin-4-amine?
The canonical SMILES for 1-(5-chloro-8-methylpyrido[2,3-d]pyridazin-3-yl)-N,N-dimethylpiperidin-4-amine is Cc1nnc(Cl)c2cc(N3CCC(N(C)C)CC3)cnc12.
What is the InChIKey of 1-(5-chloro-8-methylpyrido[2,3-d]pyridazin-3-yl)-N,N-dimethylpiperidin-4-amine?
The InChIKey is KLPLWQBVAJQCOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClN5/c1-10-14-13(15(16)19-18-10)8-12(9-17-14)21-6-4-11(5-7-21)20(2)3/h8-9,11H,4-7H2,1-3H3.
What are the key properties of 1-(5-chloro-8-methylpyrido[2,3-d]pyridazin-3-yl)-N,N-dimethylpiperidin-4-amine?
1-(5-chloro-8-methylpyrido[2,3-d]pyridazin-3-yl)-N,N-dimethylpiperidin-4-amine has a molecular weight of 305.81 g/mol, XLogP of 2.52, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloro-8-methylpyrido[2,3-d]pyridazin-3-yl)-N,N-dimethylpiperidin-4-amine is sourced from PubChem (CID 168954155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).