2-[4-(2,5-dioxo-4-propylimidazolidin-4-yl)piperidin-1-yl]-4,6-dimethylpyridine-3-carbonitrile

C19H25N5O2 — CID 56723617

IUPAC2-[4-(2,5-dioxo-4-propylimidazolidin-4-yl)piperidin-1-yl]-4,6-dimethylpyridine-3-carbonitrile
SMILESCCCC1(C2CCN(c3nc(C)cc(C)c3C#N)CC2)NC(=O)NC1=O
InChIInChI=1S/C19H25N5O2/c1-4-7-19(17(25)22-18(26)23-19)14-5-8-24(9-6-14)16-15(11-20)12(2)10-13(3)21-16/h10,14H,4-9H2,1-3H3,(H2,22,23,25,26)
InChIKeyMXSGWNBEHDVNKB-UHFFFAOYSA-N
MW355.44 g/mol
LogP2.16
Rot. Bonds4

About 2-[4-(2,5-dioxo-4-propylimidazolidin-4-yl)piperidin-1-yl]-4,6-dimethylpyridine-3-carbonitrile

2-[4-(2,5-dioxo-4-propylimidazolidin-4-yl)piperidin-1-yl]-4,6-dimethylpyridine-3-carbonitrile (PubChem CID 56723617) has the molecular formula C19H25N5O2 and a molecular weight of 355.44 g/mol. Its IUPAC name is 2-[4-(2,5-dioxo-4-propylimidazolidin-4-yl)piperidin-1-yl]-4,6-dimethylpyridine-3-carbonitrile.

Molecular Properties

Compound Name2-[4-(2,5-dioxo-4-propylimidazolidin-4-yl)piperidin-1-yl]-4,6-dimethylpyridine-3-carbonitrile
PubChem CID56723617
Molecular FormulaC19H25N5O2
Molecular Weight355.44 g/mol
Exact Mass355.20
IUPAC Name2-[4-(2,5-dioxo-4-propylimidazolidin-4-yl)piperidin-1-yl]-4,6-dimethylpyridine-3-carbonitrile
SMILESCCCC1(C2CCN(c3nc(C)cc(C)c3C#N)CC2)NC(=O)NC1=O
InChIInChI=1S/C19H25N5O2/c1-4-7-19(17(25)22-18(26)23-19)14-5-8-24(9-6-14)16-15(11-20)12(2)10-13(3)21-16/h10,14H,4-9H2,1-3H3,(H2,22,23,25,26)
InChIKeyMXSGWNBEHDVNKB-UHFFFAOYSA-N
XLogP2.16
TPSA98.12 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.44
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(2,5-dioxo-4-propylimidazolidin-4-yl)piperidin-1-yl]-4,6-dimethylpyridine-3-carbonitrile?
The IUPAC name of 2-[4-(2,5-dioxo-4-propylimidazolidin-4-yl)piperidin-1-yl]-4,6-dimethylpyridine-3-carbonitrile (CID 56723617) is 2-[4-(2,5-dioxo-4-propylimidazolidin-4-yl)piperidin-1-yl]-4,6-dimethylpyridine-3-carbonitrile.
What is the SMILES notation for 2-[4-(2,5-dioxo-4-propylimidazolidin-4-yl)piperidin-1-yl]-4,6-dimethylpyridine-3-carbonitrile?
The canonical SMILES for 2-[4-(2,5-dioxo-4-propylimidazolidin-4-yl)piperidin-1-yl]-4,6-dimethylpyridine-3-carbonitrile is CCCC1(C2CCN(c3nc(C)cc(C)c3C#N)CC2)NC(=O)NC1=O.
What is the InChIKey of 2-[4-(2,5-dioxo-4-propylimidazolidin-4-yl)piperidin-1-yl]-4,6-dimethylpyridine-3-carbonitrile?
The InChIKey is MXSGWNBEHDVNKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N5O2/c1-4-7-19(17(25)22-18(26)23-19)14-5-8-24(9-6-14)16-15(11-20)12(2)10-13(3)21-16/h10,14H,4-9H2,1-3H3,(H2,22,23,25,26).
What are the key properties of 2-[4-(2,5-dioxo-4-propylimidazolidin-4-yl)piperidin-1-yl]-4,6-dimethylpyridine-3-carbonitrile?
2-[4-(2,5-dioxo-4-propylimidazolidin-4-yl)piperidin-1-yl]-4,6-dimethylpyridine-3-carbonitrile has a molecular weight of 355.44 g/mol, XLogP of 2.16, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2,5-dioxo-4-propylimidazolidin-4-yl)piperidin-1-yl]-4,6-dimethylpyridine-3-carbonitrile is sourced from PubChem (CID 56723617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).