6-[[1-(3-methylbutanoyl)piperidin-4-yl]amino]pyridine-2-carboxylic acid

C16H23N3O3 — CID 122053315

IUPAC6-[[1-(3-methylbutanoyl)piperidin-4-yl]amino]pyridine-2-carboxylic acid
SMILESCC(C)CC(=O)N1CCC(Nc2cccc(C(=O)O)n2)CC1
InChIInChI=1S/C16H23N3O3/c1-11(2)10-15(20)19-8-6-12(7-9-19)17-14-5-3-4-13(18-14)16(21)22/h3-5,11-12H,6-10H2,1-2H3,(H,17,18)(H,21,22)
InChIKeyVIZOLEKTDCHCNS-UHFFFAOYSA-N
MW305.38 g/mol
LogP2.23
Rot. Bonds5

About 6-[[1-(3-methylbutanoyl)piperidin-4-yl]amino]pyridine-2-carboxylic acid

6-[[1-(3-methylbutanoyl)piperidin-4-yl]amino]pyridine-2-carboxylic acid (PubChem CID 122053315) has the molecular formula C16H23N3O3 and a molecular weight of 305.38 g/mol. Its IUPAC name is 6-[[1-(3-methylbutanoyl)piperidin-4-yl]amino]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name6-[[1-(3-methylbutanoyl)piperidin-4-yl]amino]pyridine-2-carboxylic acid
PubChem CID122053315
Molecular FormulaC16H23N3O3
Molecular Weight305.38 g/mol
Exact Mass305.17
IUPAC Name6-[[1-(3-methylbutanoyl)piperidin-4-yl]amino]pyridine-2-carboxylic acid
SMILESCC(C)CC(=O)N1CCC(Nc2cccc(C(=O)O)n2)CC1
InChIInChI=1S/C16H23N3O3/c1-11(2)10-15(20)19-8-6-12(7-9-19)17-14-5-3-4-13(18-14)16(21)22/h3-5,11-12H,6-10H2,1-2H3,(H,17,18)(H,21,22)
InChIKeyVIZOLEKTDCHCNS-UHFFFAOYSA-N
XLogP2.23
TPSA82.53 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.38
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-[[1-(3,3-dimethylbutanoyl)piperidin-4-yl]amino]pyridine-2-carboxamide
CID 173112160
6-[(1-cyclohexylpiperidin-4-yl)amino]pyridine-2-carboxylic acid
CID 122048859
1-[4-(3-chloroanilino)piperidin-1-yl]-3-methylbutan-1-one
CID 5030515
6-[[4-(difluoromethyl)cyclohexyl]amino]pyridine-2-carboxylic acid
CID 122058210
1-[4-[(4-ethyl-2-pyridinyl)amino]piperidin-1-yl]-3-methylbutan-1-one;molecular hydrogen
CID 144655303
6-[[1-(4-methylphenyl)sulfonylpiperidin-4-yl]amino]pyridine-2-carboxylic acid
CID 122052821
1-[1-(3-methylbutanoyl)piperidin-4-yl]-3-phenylurea
CID 110638001
6-[(3,3-dimethylcyclopentyl)amino]pyridine-2-carboxylic acid
CID 114541236
[6-(cyclopropylamino)-2-pyridinyl]-piperidin-1-ylmethanone
CID 84570721
1-benzyl-3-[1-(3-methylbutanoyl)piperidin-4-yl]urea
CID 47085415
2,6-dimethoxy-N-[1-(3-methylbutanoyl)piperidin-4-yl]benzamide
CID 110819616
N-[1-(3-methylbutanoyl)piperidin-4-yl]-2-phenylbutanamide
CID 51093701

Frequently Asked Questions

What is the IUPAC name of 6-[[1-(3-methylbutanoyl)piperidin-4-yl]amino]pyridine-2-carboxylic acid?
The IUPAC name of 6-[[1-(3-methylbutanoyl)piperidin-4-yl]amino]pyridine-2-carboxylic acid (CID 122053315) is 6-[[1-(3-methylbutanoyl)piperidin-4-yl]amino]pyridine-2-carboxylic acid.
What is the SMILES notation for 6-[[1-(3-methylbutanoyl)piperidin-4-yl]amino]pyridine-2-carboxylic acid?
The canonical SMILES for 6-[[1-(3-methylbutanoyl)piperidin-4-yl]amino]pyridine-2-carboxylic acid is CC(C)CC(=O)N1CCC(Nc2cccc(C(=O)O)n2)CC1.
What is the InChIKey of 6-[[1-(3-methylbutanoyl)piperidin-4-yl]amino]pyridine-2-carboxylic acid?
The InChIKey is VIZOLEKTDCHCNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O3/c1-11(2)10-15(20)19-8-6-12(7-9-19)17-14-5-3-4-13(18-14)16(21)22/h3-5,11-12H,6-10H2,1-2H3,(H,17,18)(H,21,22).
What are the key properties of 6-[[1-(3-methylbutanoyl)piperidin-4-yl]amino]pyridine-2-carboxylic acid?
6-[[1-(3-methylbutanoyl)piperidin-4-yl]amino]pyridine-2-carboxylic acid has a molecular weight of 305.38 g/mol, XLogP of 2.23, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[1-(3-methylbutanoyl)piperidin-4-yl]amino]pyridine-2-carboxylic acid is sourced from PubChem (CID 122053315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).