(6-amino-3-pyridinyl)-[4-[6-methyl-4-[(4-methylphenyl)methyl]-2-pyridinyl]piperidin-1-yl]methanone

C25H28N4O — CID 92617102

IUPAC(6-amino-3-pyridinyl)-[4-[6-methyl-4-[(4-methylphenyl)methyl]-2-pyridinyl]piperidin-1-yl]methanone
SMILESCc1ccc(Cc2cc(C)nc(C3CCN(C(=O)c4ccc(N)nc4)CC3)c2)cc1
InChIInChI=1S/C25H28N4O/c1-17-3-5-19(6-4-17)14-20-13-18(2)28-23(15-20)21-9-11-29(12-10-21)25(30)22-7-8-24(26)27-16-22/h3-8,13,15-16,21H,9-12,14H2,1-2H3,(H2,26,27)
InChIKeyMGLGHJYGBPIVGT-UHFFFAOYSA-N
MW400.53 g/mol
LogP4.29
Rot. Bonds4

About (6-amino-3-pyridinyl)-[4-[6-methyl-4-[(4-methylphenyl)methyl]-2-pyridinyl]piperidin-1-yl]methanone

(6-amino-3-pyridinyl)-[4-[6-methyl-4-[(4-methylphenyl)methyl]-2-pyridinyl]piperidin-1-yl]methanone (PubChem CID 92617102) has the molecular formula C25H28N4O and a molecular weight of 400.53 g/mol. Its IUPAC name is (6-amino-3-pyridinyl)-[4-[6-methyl-4-[(4-methylphenyl)methyl]-2-pyridinyl]piperidin-1-yl]methanone.

Molecular Properties

Compound Name(6-amino-3-pyridinyl)-[4-[6-methyl-4-[(4-methylphenyl)methyl]-2-pyridinyl]piperidin-1-yl]methanone
PubChem CID92617102
Molecular FormulaC25H28N4O
Molecular Weight400.53 g/mol
Exact Mass400.23
IUPAC Name(6-amino-3-pyridinyl)-[4-[6-methyl-4-[(4-methylphenyl)methyl]-2-pyridinyl]piperidin-1-yl]methanone
SMILESCc1ccc(Cc2cc(C)nc(C3CCN(C(=O)c4ccc(N)nc4)CC3)c2)cc1
InChIInChI=1S/C25H28N4O/c1-17-3-5-19(6-4-17)14-20-13-18(2)28-23(15-20)21-9-11-29(12-10-21)25(30)22-7-8-24(26)27-16-22/h3-8,13,15-16,21H,9-12,14H2,1-2H3,(H2,26,27)
InChIKeyMGLGHJYGBPIVGT-UHFFFAOYSA-N
XLogP4.29
TPSA72.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.53
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (6-amino-3-pyridinyl)-[4-[6-methyl-4-[(4-methylphenyl)methyl]-2-pyridinyl]piperidin-1-yl]methanone?
The IUPAC name of (6-amino-3-pyridinyl)-[4-[6-methyl-4-[(4-methylphenyl)methyl]-2-pyridinyl]piperidin-1-yl]methanone (CID 92617102) is (6-amino-3-pyridinyl)-[4-[6-methyl-4-[(4-methylphenyl)methyl]-2-pyridinyl]piperidin-1-yl]methanone.
What is the SMILES notation for (6-amino-3-pyridinyl)-[4-[6-methyl-4-[(4-methylphenyl)methyl]-2-pyridinyl]piperidin-1-yl]methanone?
The canonical SMILES for (6-amino-3-pyridinyl)-[4-[6-methyl-4-[(4-methylphenyl)methyl]-2-pyridinyl]piperidin-1-yl]methanone is Cc1ccc(Cc2cc(C)nc(C3CCN(C(=O)c4ccc(N)nc4)CC3)c2)cc1.
What is the InChIKey of (6-amino-3-pyridinyl)-[4-[6-methyl-4-[(4-methylphenyl)methyl]-2-pyridinyl]piperidin-1-yl]methanone?
The InChIKey is MGLGHJYGBPIVGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N4O/c1-17-3-5-19(6-4-17)14-20-13-18(2)28-23(15-20)21-9-11-29(12-10-21)25(30)22-7-8-24(26)27-16-22/h3-8,13,15-16,21H,9-12,14H2,1-2H3,(H2,26,27).
What are the key properties of (6-amino-3-pyridinyl)-[4-[6-methyl-4-[(4-methylphenyl)methyl]-2-pyridinyl]piperidin-1-yl]methanone?
(6-amino-3-pyridinyl)-[4-[6-methyl-4-[(4-methylphenyl)methyl]-2-pyridinyl]piperidin-1-yl]methanone has a molecular weight of 400.53 g/mol, XLogP of 4.29, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (6-amino-3-pyridinyl)-[4-[6-methyl-4-[(4-methylphenyl)methyl]-2-pyridinyl]piperidin-1-yl]methanone is sourced from PubChem (CID 92617102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).