6-methyl-N-[4-[1-[(1-methylimidazol-2-yl)methyl]piperidin-4-yl]-2-pyridinyl]pyridin-2-amine

C21H26N6 — CID 110111465

IUPAC6-methyl-N-[4-[1-[(1-methylimidazol-2-yl)methyl]piperidin-4-yl]-2-pyridinyl]pyridin-2-amine
SMILESCc1cccc(Nc2cc(C3CCN(Cc4nccn4C)CC3)ccn2)n1
InChIInChI=1S/C21H26N6/c1-16-4-3-5-19(24-16)25-20-14-18(6-9-22-20)17-7-11-27(12-8-17)15-21-23-10-13-26(21)2/h3-6,9-10,13-14,17H,7-8,11-12,15H2,1-2H3,(H,22,24,25)
InChIKeyDVEAWVZTEXSAOJ-UHFFFAOYSA-N
MW362.48 g/mol
LogP3.64
Rot. Bonds5

About 6-methyl-N-[4-[1-[(1-methylimidazol-2-yl)methyl]piperidin-4-yl]-2-pyridinyl]pyridin-2-amine

6-methyl-N-[4-[1-[(1-methylimidazol-2-yl)methyl]piperidin-4-yl]-2-pyridinyl]pyridin-2-amine (PubChem CID 110111465) has the molecular formula C21H26N6 and a molecular weight of 362.48 g/mol. Its IUPAC name is 6-methyl-N-[4-[1-[(1-methylimidazol-2-yl)methyl]piperidin-4-yl]-2-pyridinyl]pyridin-2-amine.

Molecular Properties

Compound Name6-methyl-N-[4-[1-[(1-methylimidazol-2-yl)methyl]piperidin-4-yl]-2-pyridinyl]pyridin-2-amine
PubChem CID110111465
Molecular FormulaC21H26N6
Molecular Weight362.48 g/mol
Exact Mass362.22
IUPAC Name6-methyl-N-[4-[1-[(1-methylimidazol-2-yl)methyl]piperidin-4-yl]-2-pyridinyl]pyridin-2-amine
SMILESCc1cccc(Nc2cc(C3CCN(Cc4nccn4C)CC3)ccn2)n1
InChIInChI=1S/C21H26N6/c1-16-4-3-5-19(24-16)25-20-14-18(6-9-22-20)17-7-11-27(12-8-17)15-21-23-10-13-26(21)2/h3-6,9-10,13-14,17H,7-8,11-12,15H2,1-2H3,(H,22,24,25)
InChIKeyDVEAWVZTEXSAOJ-UHFFFAOYSA-N
XLogP3.64
TPSA58.87 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.48
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-N-[4-[1-[(1-methylimidazol-2-yl)methyl]piperidin-4-yl]-2-pyridinyl]pyridin-2-amine?
The IUPAC name of 6-methyl-N-[4-[1-[(1-methylimidazol-2-yl)methyl]piperidin-4-yl]-2-pyridinyl]pyridin-2-amine (CID 110111465) is 6-methyl-N-[4-[1-[(1-methylimidazol-2-yl)methyl]piperidin-4-yl]-2-pyridinyl]pyridin-2-amine.
What is the SMILES notation for 6-methyl-N-[4-[1-[(1-methylimidazol-2-yl)methyl]piperidin-4-yl]-2-pyridinyl]pyridin-2-amine?
The canonical SMILES for 6-methyl-N-[4-[1-[(1-methylimidazol-2-yl)methyl]piperidin-4-yl]-2-pyridinyl]pyridin-2-amine is Cc1cccc(Nc2cc(C3CCN(Cc4nccn4C)CC3)ccn2)n1.
What is the InChIKey of 6-methyl-N-[4-[1-[(1-methylimidazol-2-yl)methyl]piperidin-4-yl]-2-pyridinyl]pyridin-2-amine?
The InChIKey is DVEAWVZTEXSAOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N6/c1-16-4-3-5-19(24-16)25-20-14-18(6-9-22-20)17-7-11-27(12-8-17)15-21-23-10-13-26(21)2/h3-6,9-10,13-14,17H,7-8,11-12,15H2,1-2H3,(H,22,24,25).
What are the key properties of 6-methyl-N-[4-[1-[(1-methylimidazol-2-yl)methyl]piperidin-4-yl]-2-pyridinyl]pyridin-2-amine?
6-methyl-N-[4-[1-[(1-methylimidazol-2-yl)methyl]piperidin-4-yl]-2-pyridinyl]pyridin-2-amine has a molecular weight of 362.48 g/mol, XLogP of 3.64, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-N-[4-[1-[(1-methylimidazol-2-yl)methyl]piperidin-4-yl]-2-pyridinyl]pyridin-2-amine is sourced from PubChem (CID 110111465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).