4-methyl-3-pentan-3-yl-5-pyrrolidin-1-ylpyridine-2-carboxamide

C16H25N3O — CID 174165166

IUPAC4-methyl-3-pentan-3-yl-5-pyrrolidin-1-ylpyridine-2-carboxamide
SMILESCCC(CC)c1c(C(N)=O)ncc(N2CCCC2)c1C
InChIInChI=1S/C16H25N3O/c1-4-12(5-2)14-11(3)13(19-8-6-7-9-19)10-18-15(14)16(17)20/h10,12H,4-9H2,1-3H3,(H2,17,20)
InChIKeyQALHKTPNOIHYRQ-UHFFFAOYSA-N
MW275.40 g/mol
LogP2.99
Rot. Bonds5

About 4-methyl-3-pentan-3-yl-5-pyrrolidin-1-ylpyridine-2-carboxamide

4-methyl-3-pentan-3-yl-5-pyrrolidin-1-ylpyridine-2-carboxamide (PubChem CID 174165166) has the molecular formula C16H25N3O and a molecular weight of 275.40 g/mol. Its IUPAC name is 4-methyl-3-pentan-3-yl-5-pyrrolidin-1-ylpyridine-2-carboxamide.

Molecular Properties

Compound Name4-methyl-3-pentan-3-yl-5-pyrrolidin-1-ylpyridine-2-carboxamide
PubChem CID174165166
Molecular FormulaC16H25N3O
Molecular Weight275.40 g/mol
Exact Mass275.20
IUPAC Name4-methyl-3-pentan-3-yl-5-pyrrolidin-1-ylpyridine-2-carboxamide
SMILESCCC(CC)c1c(C(N)=O)ncc(N2CCCC2)c1C
InChIInChI=1S/C16H25N3O/c1-4-12(5-2)14-11(3)13(19-8-6-7-9-19)10-18-15(14)16(17)20/h10,12H,4-9H2,1-3H3,(H2,17,20)
InChIKeyQALHKTPNOIHYRQ-UHFFFAOYSA-N
XLogP2.99
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.40
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-3-pentan-3-yl-5-pyrrolidin-1-ylpyridine-2-carboxamide?
The IUPAC name of 4-methyl-3-pentan-3-yl-5-pyrrolidin-1-ylpyridine-2-carboxamide (CID 174165166) is 4-methyl-3-pentan-3-yl-5-pyrrolidin-1-ylpyridine-2-carboxamide.
What is the SMILES notation for 4-methyl-3-pentan-3-yl-5-pyrrolidin-1-ylpyridine-2-carboxamide?
The canonical SMILES for 4-methyl-3-pentan-3-yl-5-pyrrolidin-1-ylpyridine-2-carboxamide is CCC(CC)c1c(C(N)=O)ncc(N2CCCC2)c1C.
What is the InChIKey of 4-methyl-3-pentan-3-yl-5-pyrrolidin-1-ylpyridine-2-carboxamide?
The InChIKey is QALHKTPNOIHYRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O/c1-4-12(5-2)14-11(3)13(19-8-6-7-9-19)10-18-15(14)16(17)20/h10,12H,4-9H2,1-3H3,(H2,17,20).
What are the key properties of 4-methyl-3-pentan-3-yl-5-pyrrolidin-1-ylpyridine-2-carboxamide?
4-methyl-3-pentan-3-yl-5-pyrrolidin-1-ylpyridine-2-carboxamide has a molecular weight of 275.40 g/mol, XLogP of 2.99, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-3-pentan-3-yl-5-pyrrolidin-1-ylpyridine-2-carboxamide is sourced from PubChem (CID 174165166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).