4-methyl-4-[(6-pyrrolidin-1-ylpyridine-3-carbonyl)amino]pentanoic acid

C16H23N3O3 — CID 119357395

IUPAC4-methyl-4-[(6-pyrrolidin-1-ylpyridine-3-carbonyl)amino]pentanoic acid
SMILESCC(C)(CCC(=O)O)NC(=O)c1ccc(N2CCCC2)nc1
InChIInChI=1S/C16H23N3O3/c1-16(2,8-7-14(20)21)18-15(22)12-5-6-13(17-11-12)19-9-3-4-10-19/h5-6,11H,3-4,7-10H2,1-2H3,(H,18,22)(H,20,21)
InChIKeyIAROFDGWEVBWMR-UHFFFAOYSA-N
MW305.38 g/mol
LogP2.06
Rot. Bonds6

About 4-methyl-4-[(6-pyrrolidin-1-ylpyridine-3-carbonyl)amino]pentanoic acid

4-methyl-4-[(6-pyrrolidin-1-ylpyridine-3-carbonyl)amino]pentanoic acid (PubChem CID 119357395) has the molecular formula C16H23N3O3 and a molecular weight of 305.38 g/mol. Its IUPAC name is 4-methyl-4-[(6-pyrrolidin-1-ylpyridine-3-carbonyl)amino]pentanoic acid.

Molecular Properties

Compound Name4-methyl-4-[(6-pyrrolidin-1-ylpyridine-3-carbonyl)amino]pentanoic acid
PubChem CID119357395
Molecular FormulaC16H23N3O3
Molecular Weight305.38 g/mol
Exact Mass305.17
IUPAC Name4-methyl-4-[(6-pyrrolidin-1-ylpyridine-3-carbonyl)amino]pentanoic acid
SMILESCC(C)(CCC(=O)O)NC(=O)c1ccc(N2CCCC2)nc1
InChIInChI=1S/C16H23N3O3/c1-16(2,8-7-14(20)21)18-15(22)12-5-6-13(17-11-12)19-9-3-4-10-19/h5-6,11H,3-4,7-10H2,1-2H3,(H,18,22)(H,20,21)
InChIKeyIAROFDGWEVBWMR-UHFFFAOYSA-N
XLogP2.06
TPSA82.53 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.38
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-piperidin-1-ylpyridine-3-carboxylic acid
CID 2794761
N-[2-(6-methyl-3-pyridinyl)propan-2-yl]-6-pyrrolidin-1-ylpyridine-3-carboxamide
CID 136530958
N-(2-hydroxy-2-propylpentyl)-6-pyrrolidin-1-ylpyridine-3-carboxamide
CID 111444833
N-(2-hydroxy-2,5-dimethylhexyl)-6-pyrrolidin-1-ylpyridine-3-carboxamide
CID 111485259
4-[2-[[6-(azepan-1-yl)pyridine-3-carbonyl]amino]ethyl]benzoic acid
CID 119136838
4-methyl-4-(pyridine-4-carbonylamino)pentanoic acid
CID 62043256
N-[2-(ethylamino)ethyl]-6-pyrrolidin-1-ylpyridine-3-carboxamide
CID 119505612
N-piperidin-4-yl-6-pyrrolidin-1-ylpyridine-3-carboxamide
CID 119386740
N-[(2R)-2-(ethylamino)propyl]-6-pyrrolidin-1-ylpyridine-3-carboxamide
CID 120652401
6-(azepan-1-yl)-N-(4-hydroxy-2,2-dimethylpentyl)pyridine-3-carboxamide
CID 111480160
N-(2-aminoethyl)-6-(azepan-1-yl)pyridine-3-carboxamide
CID 119382780
N-(3-hydroxybutyl)-6-pyrrolidin-1-ylpyridine-3-carboxamide
CID 111433799

Frequently Asked Questions

What is the IUPAC name of 4-methyl-4-[(6-pyrrolidin-1-ylpyridine-3-carbonyl)amino]pentanoic acid?
The IUPAC name of 4-methyl-4-[(6-pyrrolidin-1-ylpyridine-3-carbonyl)amino]pentanoic acid (CID 119357395) is 4-methyl-4-[(6-pyrrolidin-1-ylpyridine-3-carbonyl)amino]pentanoic acid.
What is the SMILES notation for 4-methyl-4-[(6-pyrrolidin-1-ylpyridine-3-carbonyl)amino]pentanoic acid?
The canonical SMILES for 4-methyl-4-[(6-pyrrolidin-1-ylpyridine-3-carbonyl)amino]pentanoic acid is CC(C)(CCC(=O)O)NC(=O)c1ccc(N2CCCC2)nc1.
What is the InChIKey of 4-methyl-4-[(6-pyrrolidin-1-ylpyridine-3-carbonyl)amino]pentanoic acid?
The InChIKey is IAROFDGWEVBWMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O3/c1-16(2,8-7-14(20)21)18-15(22)12-5-6-13(17-11-12)19-9-3-4-10-19/h5-6,11H,3-4,7-10H2,1-2H3,(H,18,22)(H,20,21).
What are the key properties of 4-methyl-4-[(6-pyrrolidin-1-ylpyridine-3-carbonyl)amino]pentanoic acid?
4-methyl-4-[(6-pyrrolidin-1-ylpyridine-3-carbonyl)amino]pentanoic acid has a molecular weight of 305.38 g/mol, XLogP of 2.06, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-4-[(6-pyrrolidin-1-ylpyridine-3-carbonyl)amino]pentanoic acid is sourced from PubChem (CID 119357395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).