1-(3-aminopyridine-2-carbonyl)-3-methylpiperidine-3-carboxylic acid

C13H17N3O3 — CID 104742274

IUPAC1-(3-aminopyridine-2-carbonyl)-3-methylpiperidine-3-carboxylic acid
SMILESCC1(C(=O)O)CCCN(C(=O)c2ncccc2N)C1
InChIInChI=1S/C13H17N3O3/c1-13(12(18)19)5-3-7-16(8-13)11(17)10-9(14)4-2-6-15-10/h2,4,6H,3,5,7-8,14H2,1H3,(H,18,19)
InChIKeyDOEBRXZTBHGMHT-UHFFFAOYSA-N
MW263.30 g/mol
LogP0.99
Rot. Bonds2

About 1-(3-aminopyridine-2-carbonyl)-3-methylpiperidine-3-carboxylic acid

1-(3-aminopyridine-2-carbonyl)-3-methylpiperidine-3-carboxylic acid (PubChem CID 104742274) has the molecular formula C13H17N3O3 and a molecular weight of 263.30 g/mol. Its IUPAC name is 1-(3-aminopyridine-2-carbonyl)-3-methylpiperidine-3-carboxylic acid.

Molecular Properties

Compound Name1-(3-aminopyridine-2-carbonyl)-3-methylpiperidine-3-carboxylic acid
PubChem CID104742274
Molecular FormulaC13H17N3O3
Molecular Weight263.30 g/mol
Exact Mass263.13
IUPAC Name1-(3-aminopyridine-2-carbonyl)-3-methylpiperidine-3-carboxylic acid
SMILESCC1(C(=O)O)CCCN(C(=O)c2ncccc2N)C1
InChIInChI=1S/C13H17N3O3/c1-13(12(18)19)5-3-7-16(8-13)11(17)10-9(14)4-2-6-15-10/h2,4,6H,3,5,7-8,14H2,1H3,(H,18,19)
InChIKeyDOEBRXZTBHGMHT-UHFFFAOYSA-N
XLogP0.99
TPSA96.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.30
LogP ≤ 50.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(3-amino-2-pyridinyl)-(3,3-dimethylpiperidin-1-yl)methanone
CID 104742371
1-(2-methoxypyridine-3-carbonyl)-3-methylpiperidine-3-carboxylic acid
CID 63133754
1-(2-amino-4-methoxybenzoyl)-3-methylpiperidine-3-carboxylic acid
CID 115413220
(3-amino-2-pyridinyl)-(1,4-oxazepan-4-yl)methanone
CID 104742252
1-(3-amino-4-bromobenzoyl)-3-methylpiperidine-3-carboxylic acid
CID 107813100
(3-amino-2-pyridinyl)-(3-ethyl-3-hydroxyazetidin-1-yl)methanone
CID 107219495
1-(2-bromopyridine-3-carbonyl)-3-methylpyrrolidine-3-carboxylic acid
CID 114036696
3-ethyl-1-(3-hydroxypyridine-2-carbonyl)piperidine-3-carboxylic acid
CID 63134123
1-(4-hydroxybenzoyl)-3-methylpiperidine-3-carboxylic acid
CID 55166833
(3-amino-2-pyridinyl)-[(3S)-3-hydroxypiperidin-1-yl]methanone
CID 107222837
1-(6-chloropyridine-3-carbonyl)-3-methylpiperidine-3-carboxylic acid
CID 63134102
1-(4-chlorobenzoyl)-3-methylpiperidine-3-carboxylic acid
CID 55167027

Frequently Asked Questions

What is the IUPAC name of 1-(3-aminopyridine-2-carbonyl)-3-methylpiperidine-3-carboxylic acid?
The IUPAC name of 1-(3-aminopyridine-2-carbonyl)-3-methylpiperidine-3-carboxylic acid (CID 104742274) is 1-(3-aminopyridine-2-carbonyl)-3-methylpiperidine-3-carboxylic acid.
What is the SMILES notation for 1-(3-aminopyridine-2-carbonyl)-3-methylpiperidine-3-carboxylic acid?
The canonical SMILES for 1-(3-aminopyridine-2-carbonyl)-3-methylpiperidine-3-carboxylic acid is CC1(C(=O)O)CCCN(C(=O)c2ncccc2N)C1.
What is the InChIKey of 1-(3-aminopyridine-2-carbonyl)-3-methylpiperidine-3-carboxylic acid?
The InChIKey is DOEBRXZTBHGMHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O3/c1-13(12(18)19)5-3-7-16(8-13)11(17)10-9(14)4-2-6-15-10/h2,4,6H,3,5,7-8,14H2,1H3,(H,18,19).
What are the key properties of 1-(3-aminopyridine-2-carbonyl)-3-methylpiperidine-3-carboxylic acid?
1-(3-aminopyridine-2-carbonyl)-3-methylpiperidine-3-carboxylic acid has a molecular weight of 263.30 g/mol, XLogP of 0.99, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-aminopyridine-2-carbonyl)-3-methylpiperidine-3-carboxylic acid is sourced from PubChem (CID 104742274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).