(3S)-N-methyl-1-(6-methylpyridazin-3-yl)-N-(2-pyridin-2-ylethyl)piperidin-3-amine

C18H25N5 — CID 95757599

IUPAC(3S)-N-methyl-1-(6-methylpyridazin-3-yl)-N-(2-pyridin-2-ylethyl)piperidin-3-amine
SMILESCc1ccc(N2CCC[C@H](N(C)CCc3ccccn3)C2)nn1
InChIInChI=1S/C18H25N5/c1-15-8-9-18(21-20-15)23-12-5-7-17(14-23)22(2)13-10-16-6-3-4-11-19-16/h3-4,6,8-9,11,17H,5,7,10,12-14H2,1-2H3/t17-/m0/s1
InChIKeyPHOJDKFGNZWORO-KRWDZBQOSA-N
MW311.43 g/mol
LogP2.32
Rot. Bonds5

About (3S)-N-methyl-1-(6-methylpyridazin-3-yl)-N-(2-pyridin-2-ylethyl)piperidin-3-amine

(3S)-N-methyl-1-(6-methylpyridazin-3-yl)-N-(2-pyridin-2-ylethyl)piperidin-3-amine (PubChem CID 95757599) has the molecular formula C18H25N5 and a molecular weight of 311.43 g/mol. Its IUPAC name is (3S)-N-methyl-1-(6-methylpyridazin-3-yl)-N-(2-pyridin-2-ylethyl)piperidin-3-amine.

Molecular Properties

Compound Name(3S)-N-methyl-1-(6-methylpyridazin-3-yl)-N-(2-pyridin-2-ylethyl)piperidin-3-amine
PubChem CID95757599
Molecular FormulaC18H25N5
Molecular Weight311.43 g/mol
Exact Mass311.21
IUPAC Name(3S)-N-methyl-1-(6-methylpyridazin-3-yl)-N-(2-pyridin-2-ylethyl)piperidin-3-amine
SMILESCc1ccc(N2CCC[C@H](N(C)CCc3ccccn3)C2)nn1
InChIInChI=1S/C18H25N5/c1-15-8-9-18(21-20-15)23-12-5-7-17(14-23)22(2)13-10-16-6-3-4-11-19-16/h3-4,6,8-9,11,17H,5,7,10,12-14H2,1-2H3/t17-/m0/s1
InChIKeyPHOJDKFGNZWORO-KRWDZBQOSA-N
XLogP2.32
TPSA45.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.43
LogP ≤ 52.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (3S)-N-methyl-1-(6-methylpyridazin-3-yl)-N-(2-pyridin-2-ylethyl)piperidin-3-amine?
The IUPAC name of (3S)-N-methyl-1-(6-methylpyridazin-3-yl)-N-(2-pyridin-2-ylethyl)piperidin-3-amine (CID 95757599) is (3S)-N-methyl-1-(6-methylpyridazin-3-yl)-N-(2-pyridin-2-ylethyl)piperidin-3-amine.
What is the SMILES notation for (3S)-N-methyl-1-(6-methylpyridazin-3-yl)-N-(2-pyridin-2-ylethyl)piperidin-3-amine?
The canonical SMILES for (3S)-N-methyl-1-(6-methylpyridazin-3-yl)-N-(2-pyridin-2-ylethyl)piperidin-3-amine is Cc1ccc(N2CCC[C@H](N(C)CCc3ccccn3)C2)nn1.
What is the InChIKey of (3S)-N-methyl-1-(6-methylpyridazin-3-yl)-N-(2-pyridin-2-ylethyl)piperidin-3-amine?
The InChIKey is PHOJDKFGNZWORO-KRWDZBQOSA-N. The full InChI is InChI=1S/C18H25N5/c1-15-8-9-18(21-20-15)23-12-5-7-17(14-23)22(2)13-10-16-6-3-4-11-19-16/h3-4,6,8-9,11,17H,5,7,10,12-14H2,1-2H3/t17-/m0/s1.
What are the key properties of (3S)-N-methyl-1-(6-methylpyridazin-3-yl)-N-(2-pyridin-2-ylethyl)piperidin-3-amine?
(3S)-N-methyl-1-(6-methylpyridazin-3-yl)-N-(2-pyridin-2-ylethyl)piperidin-3-amine has a molecular weight of 311.43 g/mol, XLogP of 2.32, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-methyl-1-(6-methylpyridazin-3-yl)-N-(2-pyridin-2-ylethyl)piperidin-3-amine is sourced from PubChem (CID 95757599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).