6-(5-ethynyl-2-pyridinyl)-5-methyl-N-[(3R)-1-methylpiperidin-3-yl]pyridazin-3-amine

C18H21N5 — CID 176742559

IUPAC6-(5-ethynyl-2-pyridinyl)-5-methyl-N-[(3R)-1-methylpiperidin-3-yl]pyridazin-3-amine
SMILESC#Cc1ccc(-c2nnc(N[C@@H]3CCCN(C)C3)cc2C)nc1
InChIInChI=1S/C18H21N5/c1-4-14-7-8-16(19-11-14)18-13(2)10-17(21-22-18)20-15-6-5-9-23(3)12-15/h1,7-8,10-11,15H,5-6,9,12H2,2-3H3,(H,20,21)/t15-/m1/s1
InChIKeyUPPMJCVKAXOTCU-OAHLLOKOSA-N
MW307.40 g/mol
LogP2.33
Rot. Bonds3

About 6-(5-ethynyl-2-pyridinyl)-5-methyl-N-[(3R)-1-methylpiperidin-3-yl]pyridazin-3-amine

6-(5-ethynyl-2-pyridinyl)-5-methyl-N-[(3R)-1-methylpiperidin-3-yl]pyridazin-3-amine (PubChem CID 176742559) has the molecular formula C18H21N5 and a molecular weight of 307.40 g/mol. Its IUPAC name is 6-(5-ethynyl-2-pyridinyl)-5-methyl-N-[(3R)-1-methylpiperidin-3-yl]pyridazin-3-amine.

Molecular Properties

Compound Name6-(5-ethynyl-2-pyridinyl)-5-methyl-N-[(3R)-1-methylpiperidin-3-yl]pyridazin-3-amine
PubChem CID176742559
Molecular FormulaC18H21N5
Molecular Weight307.40 g/mol
Exact Mass307.18
IUPAC Name6-(5-ethynyl-2-pyridinyl)-5-methyl-N-[(3R)-1-methylpiperidin-3-yl]pyridazin-3-amine
SMILESC#Cc1ccc(-c2nnc(N[C@@H]3CCCN(C)C3)cc2C)nc1
InChIInChI=1S/C18H21N5/c1-4-14-7-8-16(19-11-14)18-13(2)10-17(21-22-18)20-15-6-5-9-23(3)12-15/h1,7-8,10-11,15H,5-6,9,12H2,2-3H3,(H,20,21)/t15-/m1/s1
InChIKeyUPPMJCVKAXOTCU-OAHLLOKOSA-N
XLogP2.33
TPSA53.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.40
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

Analyze 6-(5-ethynyl-2-pyridinyl)-5-methyl-N-[(3R)-1-methylpiperidin-3-yl]pyridazin-3-amine with MolForge

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Related Compounds

6-(5-ethyl-2-pyridinyl)-5-methyl-N-(1-methylpiperidin-3-yl)pyridazin-3-amine
CID 175435295
5-hydroxy-6-[4-methyl-6-[[(3R)-1-methylpiperidin-3-yl]amino]pyridazin-3-yl]pyridine-3-carbonitrile
CID 170382205
6-[4-methyl-6-[[(3R)-1-methylpiperidin-3-yl]amino]pyridazin-3-yl]-2,3-dihydro-1H-inden-5-ol
CID 164544832
6-(3-methoxy-4-pyridinyl)-5-methyl-N-[(3R)-1-methylpiperidin-3-yl]pyridazin-3-amine
CID 167137767
5-ethynyl-2-[5-methyl-3-[[(3R)-1-methylpiperidin-3-yl]amino]-1,2,4-triazin-6-yl]phenol
CID 168973458
5-[4-methyl-6-[[(3R)-1-methylpiperidin-3-yl]amino]pyridazin-3-yl]-2,3-dihydro-1H-inden-4-ol
CID 164544830
6-(4-chloro-2-methoxyphenyl)-5-methyl-N-[(3R)-1-methylpiperidin-3-yl]pyridazin-3-amine
CID 167137954
2-[4-methyl-6-[[(3S)-1-methylpiperidin-3-yl]amino]pyridazin-3-yl]-5-phenylphenol
CID 170442310
5-ethynyl-2-[3-[[(3R)-1-methylpiperidin-3-yl]amino]-5-propan-2-yl-1,2,4-triazin-6-yl]phenol
CID 176742573
2-[4-methyl-6-[[(3S)-1-methylpiperidin-3-yl]amino]pyridazin-3-yl]-5-methylsulfonylphenol
CID 170442521
6-(8-methoxyquinolin-7-yl)-5-methyl-N-[(3S)-1-methylpiperidin-3-yl]pyridazin-3-amine
CID 171586094
6-(5-methoxy-2,3-dihydro-1H-inden-4-yl)-5-methyl-N-[(3R)-1-methylpiperidin-3-yl]pyridazin-3-amine
CID 172518745

Frequently Asked Questions

What is the IUPAC name of 6-(5-ethynyl-2-pyridinyl)-5-methyl-N-[(3R)-1-methylpiperidin-3-yl]pyridazin-3-amine?
The IUPAC name of 6-(5-ethynyl-2-pyridinyl)-5-methyl-N-[(3R)-1-methylpiperidin-3-yl]pyridazin-3-amine (CID 176742559) is 6-(5-ethynyl-2-pyridinyl)-5-methyl-N-[(3R)-1-methylpiperidin-3-yl]pyridazin-3-amine.
What is the SMILES notation for 6-(5-ethynyl-2-pyridinyl)-5-methyl-N-[(3R)-1-methylpiperidin-3-yl]pyridazin-3-amine?
The canonical SMILES for 6-(5-ethynyl-2-pyridinyl)-5-methyl-N-[(3R)-1-methylpiperidin-3-yl]pyridazin-3-amine is C#Cc1ccc(-c2nnc(N[C@@H]3CCCN(C)C3)cc2C)nc1.
What is the InChIKey of 6-(5-ethynyl-2-pyridinyl)-5-methyl-N-[(3R)-1-methylpiperidin-3-yl]pyridazin-3-amine?
The InChIKey is UPPMJCVKAXOTCU-OAHLLOKOSA-N. The full InChI is InChI=1S/C18H21N5/c1-4-14-7-8-16(19-11-14)18-13(2)10-17(21-22-18)20-15-6-5-9-23(3)12-15/h1,7-8,10-11,15H,5-6,9,12H2,2-3H3,(H,20,21)/t15-/m1/s1.
What are the key properties of 6-(5-ethynyl-2-pyridinyl)-5-methyl-N-[(3R)-1-methylpiperidin-3-yl]pyridazin-3-amine?
6-(5-ethynyl-2-pyridinyl)-5-methyl-N-[(3R)-1-methylpiperidin-3-yl]pyridazin-3-amine has a molecular weight of 307.40 g/mol, XLogP of 2.33, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(5-ethynyl-2-pyridinyl)-5-methyl-N-[(3R)-1-methylpiperidin-3-yl]pyridazin-3-amine is sourced from PubChem (CID 176742559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).