1-(3-amino-2-phenylpyridine-4-carbonyl)-6-methylpiperidine-3-carboxylic acid

C19H21N3O3 — CID 122112704

IUPAC1-(3-amino-2-phenylpyridine-4-carbonyl)-6-methylpiperidine-3-carboxylic acid
SMILESCC1CCC(C(=O)O)CN1C(=O)c1ccnc(-c2ccccc2)c1N
InChIInChI=1S/C19H21N3O3/c1-12-7-8-14(19(24)25)11-22(12)18(23)15-9-10-21-17(16(15)20)13-5-3-2-4-6-13/h2-6,9-10,12,14H,7-8,11,20H2,1H3,(H,24,25)
InChIKeyBFQYULRNHVTQTR-UHFFFAOYSA-N
MW339.39 g/mol
LogP2.66
Rot. Bonds3

About 1-(3-amino-2-phenylpyridine-4-carbonyl)-6-methylpiperidine-3-carboxylic acid

1-(3-amino-2-phenylpyridine-4-carbonyl)-6-methylpiperidine-3-carboxylic acid (PubChem CID 122112704) has the molecular formula C19H21N3O3 and a molecular weight of 339.39 g/mol. Its IUPAC name is 1-(3-amino-2-phenylpyridine-4-carbonyl)-6-methylpiperidine-3-carboxylic acid.

Molecular Properties

Compound Name1-(3-amino-2-phenylpyridine-4-carbonyl)-6-methylpiperidine-3-carboxylic acid
PubChem CID122112704
Molecular FormulaC19H21N3O3
Molecular Weight339.39 g/mol
Exact Mass339.16
IUPAC Name1-(3-amino-2-phenylpyridine-4-carbonyl)-6-methylpiperidine-3-carboxylic acid
SMILESCC1CCC(C(=O)O)CN1C(=O)c1ccnc(-c2ccccc2)c1N
InChIInChI=1S/C19H21N3O3/c1-12-7-8-14(19(24)25)11-22(12)18(23)15-9-10-21-17(16(15)20)13-5-3-2-4-6-13/h2-6,9-10,12,14H,7-8,11,20H2,1H3,(H,24,25)
InChIKeyBFQYULRNHVTQTR-UHFFFAOYSA-N
XLogP2.66
TPSA96.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.39
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-methoxypyridine-3-carbonyl)-6-methylpiperidine-3-carboxylic acid
CID 122083487
6-methyl-1-(2-methylquinoline-4-carbonyl)piperidine-3-carboxylic acid
CID 122083564
1-(isoquinoline-5-carbonyl)-6-methylpiperidine-3-carboxylic acid
CID 122113249
6-methyl-1-(2-phenylmethoxypyridine-4-carbonyl)piperidine-3-carboxylic acid
CID 122113029
(3R,6S)-6-methyl-1-(2-phenylacetyl)piperidine-3-carboxylic acid
CID 169210694
(6R)-1-[2-[bis(methylideneamino)amino]benzoyl]-6-methylpiperidine-3-carboxylic acid;ethane
CID 145069806
(3R,6S)-6-methyl-1-[2-(4-pyridin-2-ylphenyl)acetyl]piperidine-3-carboxylic acid
CID 169210803
1-(furan-3-carbonyl)-6-methylpiperidine-3-carboxylic acid
CID 122083728
6-methyl-1-(2-methyl-1,3-thiazole-5-carbonyl)piperidine-3-carboxylic acid
CID 122083597
6-methyl-1-[2-[(2-phenyl-1,3-oxazol-4-yl)methylsulfanyl]acetyl]piperidine-3-carboxylic acid
CID 122113994
1-(2-hydroxy-5-phenylmethoxybenzoyl)-6-methylpiperidine-3-carboxylic acid
CID 122112894
(3R,6R)-1-[4-fluoro-2-(triazol-2-yl)benzoyl]-6-methylpiperidine-3-carboxylic acid
CID 86729685

Frequently Asked Questions

What is the IUPAC name of 1-(3-amino-2-phenylpyridine-4-carbonyl)-6-methylpiperidine-3-carboxylic acid?
The IUPAC name of 1-(3-amino-2-phenylpyridine-4-carbonyl)-6-methylpiperidine-3-carboxylic acid (CID 122112704) is 1-(3-amino-2-phenylpyridine-4-carbonyl)-6-methylpiperidine-3-carboxylic acid.
What is the SMILES notation for 1-(3-amino-2-phenylpyridine-4-carbonyl)-6-methylpiperidine-3-carboxylic acid?
The canonical SMILES for 1-(3-amino-2-phenylpyridine-4-carbonyl)-6-methylpiperidine-3-carboxylic acid is CC1CCC(C(=O)O)CN1C(=O)c1ccnc(-c2ccccc2)c1N.
What is the InChIKey of 1-(3-amino-2-phenylpyridine-4-carbonyl)-6-methylpiperidine-3-carboxylic acid?
The InChIKey is BFQYULRNHVTQTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O3/c1-12-7-8-14(19(24)25)11-22(12)18(23)15-9-10-21-17(16(15)20)13-5-3-2-4-6-13/h2-6,9-10,12,14H,7-8,11,20H2,1H3,(H,24,25).
What are the key properties of 1-(3-amino-2-phenylpyridine-4-carbonyl)-6-methylpiperidine-3-carboxylic acid?
1-(3-amino-2-phenylpyridine-4-carbonyl)-6-methylpiperidine-3-carboxylic acid has a molecular weight of 339.39 g/mol, XLogP of 2.66, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-amino-2-phenylpyridine-4-carbonyl)-6-methylpiperidine-3-carboxylic acid is sourced from PubChem (CID 122112704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).