5-[5-(4-aminopiperidin-1-yl)-2-(4-methoxyphenyl)-1-methyl-6-oxo-3-pyridinyl]pyridine-2-carbonitrile

C24H25N5O2 — CID 118610219

IUPAC5-[5-(4-aminopiperidin-1-yl)-2-(4-methoxyphenyl)-1-methyl-6-oxo-3-pyridinyl]pyridine-2-carbonitrile
SMILESCOc1ccc(-c2c(-c3ccc(C#N)nc3)cc(N3CCC(N)CC3)c(=O)n2C)cc1
InChIInChI=1S/C24H25N5O2/c1-28-23(16-4-7-20(31-2)8-5-16)21(17-3-6-19(14-25)27-15-17)13-22(24(28)30)29-11-9-18(26)10-12-29/h3-8,13,15,18H,9-12,26H2,1-2H3
InChIKeyDPYOWSQDOGOBIJ-UHFFFAOYSA-N
MW415.50 g/mol
LogP2.92
Rot. Bonds4

About 5-[5-(4-aminopiperidin-1-yl)-2-(4-methoxyphenyl)-1-methyl-6-oxo-3-pyridinyl]pyridine-2-carbonitrile

5-[5-(4-aminopiperidin-1-yl)-2-(4-methoxyphenyl)-1-methyl-6-oxo-3-pyridinyl]pyridine-2-carbonitrile (PubChem CID 118610219) has the molecular formula C24H25N5O2 and a molecular weight of 415.50 g/mol. Its IUPAC name is 5-[5-(4-aminopiperidin-1-yl)-2-(4-methoxyphenyl)-1-methyl-6-oxo-3-pyridinyl]pyridine-2-carbonitrile.

Molecular Properties

Compound Name5-[5-(4-aminopiperidin-1-yl)-2-(4-methoxyphenyl)-1-methyl-6-oxo-3-pyridinyl]pyridine-2-carbonitrile
PubChem CID118610219
Molecular FormulaC24H25N5O2
Molecular Weight415.50 g/mol
Exact Mass415.20
IUPAC Name5-[5-(4-aminopiperidin-1-yl)-2-(4-methoxyphenyl)-1-methyl-6-oxo-3-pyridinyl]pyridine-2-carbonitrile
SMILESCOc1ccc(-c2c(-c3ccc(C#N)nc3)cc(N3CCC(N)CC3)c(=O)n2C)cc1
InChIInChI=1S/C24H25N5O2/c1-28-23(16-4-7-20(31-2)8-5-16)21(17-3-6-19(14-25)27-15-17)13-22(24(28)30)29-11-9-18(26)10-12-29/h3-8,13,15,18H,9-12,26H2,1-2H3
InChIKeyDPYOWSQDOGOBIJ-UHFFFAOYSA-N
XLogP2.92
TPSA97.17 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.50
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-[5-(4-aminopiperidin-1-yl)-2-(4-methoxyphenyl)-1-methyl-6-oxo-3-pyridinyl]pyridine-2-carbonitrile?
The IUPAC name of 5-[5-(4-aminopiperidin-1-yl)-2-(4-methoxyphenyl)-1-methyl-6-oxo-3-pyridinyl]pyridine-2-carbonitrile (CID 118610219) is 5-[5-(4-aminopiperidin-1-yl)-2-(4-methoxyphenyl)-1-methyl-6-oxo-3-pyridinyl]pyridine-2-carbonitrile.
What is the SMILES notation for 5-[5-(4-aminopiperidin-1-yl)-2-(4-methoxyphenyl)-1-methyl-6-oxo-3-pyridinyl]pyridine-2-carbonitrile?
The canonical SMILES for 5-[5-(4-aminopiperidin-1-yl)-2-(4-methoxyphenyl)-1-methyl-6-oxo-3-pyridinyl]pyridine-2-carbonitrile is COc1ccc(-c2c(-c3ccc(C#N)nc3)cc(N3CCC(N)CC3)c(=O)n2C)cc1.
What is the InChIKey of 5-[5-(4-aminopiperidin-1-yl)-2-(4-methoxyphenyl)-1-methyl-6-oxo-3-pyridinyl]pyridine-2-carbonitrile?
The InChIKey is DPYOWSQDOGOBIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N5O2/c1-28-23(16-4-7-20(31-2)8-5-16)21(17-3-6-19(14-25)27-15-17)13-22(24(28)30)29-11-9-18(26)10-12-29/h3-8,13,15,18H,9-12,26H2,1-2H3.
What are the key properties of 5-[5-(4-aminopiperidin-1-yl)-2-(4-methoxyphenyl)-1-methyl-6-oxo-3-pyridinyl]pyridine-2-carbonitrile?
5-[5-(4-aminopiperidin-1-yl)-2-(4-methoxyphenyl)-1-methyl-6-oxo-3-pyridinyl]pyridine-2-carbonitrile has a molecular weight of 415.50 g/mol, XLogP of 2.92, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-(4-aminopiperidin-1-yl)-2-(4-methoxyphenyl)-1-methyl-6-oxo-3-pyridinyl]pyridine-2-carbonitrile is sourced from PubChem (CID 118610219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).