3-methyl-N-[5-[(2R)-1-(quinoxalin-6-ylmethyl)piperidin-2-yl]-2-pyridinyl]pyridin-2-amine

C25H26N6 — CID 124977775

IUPAC3-methyl-N-[5-[(2R)-1-(quinoxalin-6-ylmethyl)piperidin-2-yl]-2-pyridinyl]pyridin-2-amine
SMILESCc1cccnc1Nc1ccc([C@H]2CCCCN2Cc2ccc3nccnc3c2)cn1
InChIInChI=1S/C25H26N6/c1-18-5-4-11-28-25(18)30-24-10-8-20(16-29-24)23-6-2-3-14-31(23)17-19-7-9-21-22(15-19)27-13-12-26-21/h4-5,7-13,15-16,23H,2-3,6,14,17H2,1H3,(H,28,29,30)/t23-/m1/s1
InChIKeyLOZWIEAPNFUMAI-HSZRJFAPSA-N
MW410.53 g/mol
LogP5.20
Rot. Bonds5

About 3-methyl-N-[5-[(2R)-1-(quinoxalin-6-ylmethyl)piperidin-2-yl]-2-pyridinyl]pyridin-2-amine

3-methyl-N-[5-[(2R)-1-(quinoxalin-6-ylmethyl)piperidin-2-yl]-2-pyridinyl]pyridin-2-amine (PubChem CID 124977775) has the molecular formula C25H26N6 and a molecular weight of 410.53 g/mol. Its IUPAC name is 3-methyl-N-[5-[(2R)-1-(quinoxalin-6-ylmethyl)piperidin-2-yl]-2-pyridinyl]pyridin-2-amine.

Molecular Properties

Compound Name3-methyl-N-[5-[(2R)-1-(quinoxalin-6-ylmethyl)piperidin-2-yl]-2-pyridinyl]pyridin-2-amine
PubChem CID124977775
Molecular FormulaC25H26N6
Molecular Weight410.53 g/mol
Exact Mass410.22
IUPAC Name3-methyl-N-[5-[(2R)-1-(quinoxalin-6-ylmethyl)piperidin-2-yl]-2-pyridinyl]pyridin-2-amine
SMILESCc1cccnc1Nc1ccc([C@H]2CCCCN2Cc2ccc3nccnc3c2)cn1
InChIInChI=1S/C25H26N6/c1-18-5-4-11-28-25(18)30-24-10-8-20(16-29-24)23-6-2-3-14-31(23)17-19-7-9-21-22(15-19)27-13-12-26-21/h4-5,7-13,15-16,23H,2-3,6,14,17H2,1H3,(H,28,29,30)/t23-/m1/s1
InChIKeyLOZWIEAPNFUMAI-HSZRJFAPSA-N
XLogP5.20
TPSA66.83 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500410.53
LogP ≤ 55.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 3-methyl-N-[5-[(2R)-1-(quinoxalin-6-ylmethyl)piperidin-2-yl]-2-pyridinyl]pyridin-2-amine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[5-[(2R)-1-(quinoxalin-6-ylmethyl)piperidin-2-yl]-2-pyridinyl]pyridin-2-amine?
The IUPAC name of 3-methyl-N-[5-[(2R)-1-(quinoxalin-6-ylmethyl)piperidin-2-yl]-2-pyridinyl]pyridin-2-amine (CID 124977775) is 3-methyl-N-[5-[(2R)-1-(quinoxalin-6-ylmethyl)piperidin-2-yl]-2-pyridinyl]pyridin-2-amine.
What is the SMILES notation for 3-methyl-N-[5-[(2R)-1-(quinoxalin-6-ylmethyl)piperidin-2-yl]-2-pyridinyl]pyridin-2-amine?
The canonical SMILES for 3-methyl-N-[5-[(2R)-1-(quinoxalin-6-ylmethyl)piperidin-2-yl]-2-pyridinyl]pyridin-2-amine is Cc1cccnc1Nc1ccc([C@H]2CCCCN2Cc2ccc3nccnc3c2)cn1.
What is the InChIKey of 3-methyl-N-[5-[(2R)-1-(quinoxalin-6-ylmethyl)piperidin-2-yl]-2-pyridinyl]pyridin-2-amine?
The InChIKey is LOZWIEAPNFUMAI-HSZRJFAPSA-N. The full InChI is InChI=1S/C25H26N6/c1-18-5-4-11-28-25(18)30-24-10-8-20(16-29-24)23-6-2-3-14-31(23)17-19-7-9-21-22(15-19)27-13-12-26-21/h4-5,7-13,15-16,23H,2-3,6,14,17H2,1H3,(H,28,29,30)/t23-/m1/s1.
What are the key properties of 3-methyl-N-[5-[(2R)-1-(quinoxalin-6-ylmethyl)piperidin-2-yl]-2-pyridinyl]pyridin-2-amine?
3-methyl-N-[5-[(2R)-1-(quinoxalin-6-ylmethyl)piperidin-2-yl]-2-pyridinyl]pyridin-2-amine has a molecular weight of 410.53 g/mol, XLogP of 5.20, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[5-[(2R)-1-(quinoxalin-6-ylmethyl)piperidin-2-yl]-2-pyridinyl]pyridin-2-amine is sourced from PubChem (CID 124977775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).