1-[4-[4-(6-amino-3-pyridinyl)-6-methyl-2-pyridinyl]piperidin-1-yl]-2-(2,2,6,6-tetramethyl-1,3-dihydropyridin-4-yl)ethanone

C27H37N5O — CID 92617268

IUPAC1-[4-[4-(6-amino-3-pyridinyl)-6-methyl-2-pyridinyl]piperidin-1-yl]-2-(2,2,6,6-tetramethyl-1,3-dihydropyridin-4-yl)ethanone
SMILESCc1cc(-c2ccc(N)nc2)cc(C2CCN(C(=O)CC3=CC(C)(C)NC(C)(C)C3)CC2)n1
InChIInChI=1S/C27H37N5O/c1-18-12-22(21-6-7-24(28)29-17-21)14-23(30-18)20-8-10-32(11-9-20)25(33)13-19-15-26(2,3)31-27(4,5)16-19/h6-7,12,14-15,17,20,31H,8-11,13,16H2,1-5H3,(H2,28,29)
InChIKeyWYNKZVBIJFCDPL-UHFFFAOYSA-N
MW447.63 g/mol
LogP4.61
Rot. Bonds4

About 1-[4-[4-(6-amino-3-pyridinyl)-6-methyl-2-pyridinyl]piperidin-1-yl]-2-(2,2,6,6-tetramethyl-1,3-dihydropyridin-4-yl)ethanone

1-[4-[4-(6-amino-3-pyridinyl)-6-methyl-2-pyridinyl]piperidin-1-yl]-2-(2,2,6,6-tetramethyl-1,3-dihydropyridin-4-yl)ethanone (PubChem CID 92617268) has the molecular formula C27H37N5O and a molecular weight of 447.63 g/mol. Its IUPAC name is 1-[4-[4-(6-amino-3-pyridinyl)-6-methyl-2-pyridinyl]piperidin-1-yl]-2-(2,2,6,6-tetramethyl-1,3-dihydropyridin-4-yl)ethanone.

Molecular Properties

Compound Name1-[4-[4-(6-amino-3-pyridinyl)-6-methyl-2-pyridinyl]piperidin-1-yl]-2-(2,2,6,6-tetramethyl-1,3-dihydropyridin-4-yl)ethanone
PubChem CID92617268
Molecular FormulaC27H37N5O
Molecular Weight447.63 g/mol
Exact Mass447.30
IUPAC Name1-[4-[4-(6-amino-3-pyridinyl)-6-methyl-2-pyridinyl]piperidin-1-yl]-2-(2,2,6,6-tetramethyl-1,3-dihydropyridin-4-yl)ethanone
SMILESCc1cc(-c2ccc(N)nc2)cc(C2CCN(C(=O)CC3=CC(C)(C)NC(C)(C)C3)CC2)n1
InChIInChI=1S/C27H37N5O/c1-18-12-22(21-6-7-24(28)29-17-21)14-23(30-18)20-8-10-32(11-9-20)25(33)13-19-15-26(2,3)31-27(4,5)16-19/h6-7,12,14-15,17,20,31H,8-11,13,16H2,1-5H3,(H2,28,29)
InChIKeyWYNKZVBIJFCDPL-UHFFFAOYSA-N
XLogP4.61
TPSA84.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.63
LogP ≤ 54.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[4-(6-amino-3-pyridinyl)-6-methyl-2-pyridinyl]piperidin-1-yl]-2-(2,2,6,6-tetramethyl-1,3-dihydropyridin-4-yl)ethanone?
The IUPAC name of 1-[4-[4-(6-amino-3-pyridinyl)-6-methyl-2-pyridinyl]piperidin-1-yl]-2-(2,2,6,6-tetramethyl-1,3-dihydropyridin-4-yl)ethanone (CID 92617268) is 1-[4-[4-(6-amino-3-pyridinyl)-6-methyl-2-pyridinyl]piperidin-1-yl]-2-(2,2,6,6-tetramethyl-1,3-dihydropyridin-4-yl)ethanone.
What is the SMILES notation for 1-[4-[4-(6-amino-3-pyridinyl)-6-methyl-2-pyridinyl]piperidin-1-yl]-2-(2,2,6,6-tetramethyl-1,3-dihydropyridin-4-yl)ethanone?
The canonical SMILES for 1-[4-[4-(6-amino-3-pyridinyl)-6-methyl-2-pyridinyl]piperidin-1-yl]-2-(2,2,6,6-tetramethyl-1,3-dihydropyridin-4-yl)ethanone is Cc1cc(-c2ccc(N)nc2)cc(C2CCN(C(=O)CC3=CC(C)(C)NC(C)(C)C3)CC2)n1.
What is the InChIKey of 1-[4-[4-(6-amino-3-pyridinyl)-6-methyl-2-pyridinyl]piperidin-1-yl]-2-(2,2,6,6-tetramethyl-1,3-dihydropyridin-4-yl)ethanone?
The InChIKey is WYNKZVBIJFCDPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H37N5O/c1-18-12-22(21-6-7-24(28)29-17-21)14-23(30-18)20-8-10-32(11-9-20)25(33)13-19-15-26(2,3)31-27(4,5)16-19/h6-7,12,14-15,17,20,31H,8-11,13,16H2,1-5H3,(H2,28,29).
What are the key properties of 1-[4-[4-(6-amino-3-pyridinyl)-6-methyl-2-pyridinyl]piperidin-1-yl]-2-(2,2,6,6-tetramethyl-1,3-dihydropyridin-4-yl)ethanone?
1-[4-[4-(6-amino-3-pyridinyl)-6-methyl-2-pyridinyl]piperidin-1-yl]-2-(2,2,6,6-tetramethyl-1,3-dihydropyridin-4-yl)ethanone has a molecular weight of 447.63 g/mol, XLogP of 4.61, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[4-(6-amino-3-pyridinyl)-6-methyl-2-pyridinyl]piperidin-1-yl]-2-(2,2,6,6-tetramethyl-1,3-dihydropyridin-4-yl)ethanone is sourced from PubChem (CID 92617268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).