3-N-methyl-5-N-(2-methylpropyl)-4-oxo-3-N-[1-(5-phenylpyrazolidin-3-yl)ethyl]-1-propan-2-ylpyridine-3,5-dicarboxamide

C26H37N5O3 — CID 75100772

IUPAC3-N-methyl-5-N-(2-methylpropyl)-4-oxo-3-N-[1-(5-phenylpyrazolidin-3-yl)ethyl]-1-propan-2-ylpyridine-3,5-dicarboxamide
SMILESCC(C)CNC(=O)c1cn(C(C)C)cc(C(=O)N(C)C(C)C2CC(c3ccccc3)NN2)c1=O
InChIInChI=1S/C26H37N5O3/c1-16(2)13-27-25(33)20-14-31(17(3)4)15-21(24(20)32)26(34)30(6)18(5)22-12-23(29-28-22)19-10-8-7-9-11-19/h7-11,14-18,22-23,28-29H,12-13H2,1-6H3,(H,27,33)
InChIKeyVJLGOSYRVQAJOK-UHFFFAOYSA-N
MW467.61 g/mol
LogP2.88
Rot. Bonds8

About 3-N-methyl-5-N-(2-methylpropyl)-4-oxo-3-N-[1-(5-phenylpyrazolidin-3-yl)ethyl]-1-propan-2-ylpyridine-3,5-dicarboxamide

3-N-methyl-5-N-(2-methylpropyl)-4-oxo-3-N-[1-(5-phenylpyrazolidin-3-yl)ethyl]-1-propan-2-ylpyridine-3,5-dicarboxamide (PubChem CID 75100772) has the molecular formula C26H37N5O3 and a molecular weight of 467.61 g/mol. Its IUPAC name is 3-N-methyl-5-N-(2-methylpropyl)-4-oxo-3-N-[1-(5-phenylpyrazolidin-3-yl)ethyl]-1-propan-2-ylpyridine-3,5-dicarboxamide.

Molecular Properties

Compound Name3-N-methyl-5-N-(2-methylpropyl)-4-oxo-3-N-[1-(5-phenylpyrazolidin-3-yl)ethyl]-1-propan-2-ylpyridine-3,5-dicarboxamide
PubChem CID75100772
Molecular FormulaC26H37N5O3
Molecular Weight467.61 g/mol
Exact Mass467.29
IUPAC Name3-N-methyl-5-N-(2-methylpropyl)-4-oxo-3-N-[1-(5-phenylpyrazolidin-3-yl)ethyl]-1-propan-2-ylpyridine-3,5-dicarboxamide
SMILESCC(C)CNC(=O)c1cn(C(C)C)cc(C(=O)N(C)C(C)C2CC(c3ccccc3)NN2)c1=O
InChIInChI=1S/C26H37N5O3/c1-16(2)13-27-25(33)20-14-31(17(3)4)15-21(24(20)32)26(34)30(6)18(5)22-12-23(29-28-22)19-10-8-7-9-11-19/h7-11,14-18,22-23,28-29H,12-13H2,1-6H3,(H,27,33)
InChIKeyVJLGOSYRVQAJOK-UHFFFAOYSA-N
XLogP2.88
TPSA95.47 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.61
LogP ≤ 52.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-N-methyl-5-N-(2-methylpropyl)-4-oxo-3-N-[1-(5-phenylpyrazolidin-3-yl)ethyl]-1-propan-2-ylpyridine-3,5-dicarboxamide?
The IUPAC name of 3-N-methyl-5-N-(2-methylpropyl)-4-oxo-3-N-[1-(5-phenylpyrazolidin-3-yl)ethyl]-1-propan-2-ylpyridine-3,5-dicarboxamide (CID 75100772) is 3-N-methyl-5-N-(2-methylpropyl)-4-oxo-3-N-[1-(5-phenylpyrazolidin-3-yl)ethyl]-1-propan-2-ylpyridine-3,5-dicarboxamide.
What is the SMILES notation for 3-N-methyl-5-N-(2-methylpropyl)-4-oxo-3-N-[1-(5-phenylpyrazolidin-3-yl)ethyl]-1-propan-2-ylpyridine-3,5-dicarboxamide?
The canonical SMILES for 3-N-methyl-5-N-(2-methylpropyl)-4-oxo-3-N-[1-(5-phenylpyrazolidin-3-yl)ethyl]-1-propan-2-ylpyridine-3,5-dicarboxamide is CC(C)CNC(=O)c1cn(C(C)C)cc(C(=O)N(C)C(C)C2CC(c3ccccc3)NN2)c1=O.
What is the InChIKey of 3-N-methyl-5-N-(2-methylpropyl)-4-oxo-3-N-[1-(5-phenylpyrazolidin-3-yl)ethyl]-1-propan-2-ylpyridine-3,5-dicarboxamide?
The InChIKey is VJLGOSYRVQAJOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H37N5O3/c1-16(2)13-27-25(33)20-14-31(17(3)4)15-21(24(20)32)26(34)30(6)18(5)22-12-23(29-28-22)19-10-8-7-9-11-19/h7-11,14-18,22-23,28-29H,12-13H2,1-6H3,(H,27,33).
What are the key properties of 3-N-methyl-5-N-(2-methylpropyl)-4-oxo-3-N-[1-(5-phenylpyrazolidin-3-yl)ethyl]-1-propan-2-ylpyridine-3,5-dicarboxamide?
3-N-methyl-5-N-(2-methylpropyl)-4-oxo-3-N-[1-(5-phenylpyrazolidin-3-yl)ethyl]-1-propan-2-ylpyridine-3,5-dicarboxamide has a molecular weight of 467.61 g/mol, XLogP of 2.88, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-methyl-5-N-(2-methylpropyl)-4-oxo-3-N-[1-(5-phenylpyrazolidin-3-yl)ethyl]-1-propan-2-ylpyridine-3,5-dicarboxamide is sourced from PubChem (CID 75100772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).