2-[(1-oxo-1-piperidin-1-ylpropan-2-yl)amino]pyridine-4-carboxylic acid

C14H19N3O3 — CID 115596229

IUPAC2-[(1-oxo-1-piperidin-1-ylpropan-2-yl)amino]pyridine-4-carboxylic acid
SMILESCC(Nc1cc(C(=O)O)ccn1)C(=O)N1CCCCC1
InChIInChI=1S/C14H19N3O3/c1-10(13(18)17-7-3-2-4-8-17)16-12-9-11(14(19)20)5-6-15-12/h5-6,9-10H,2-4,7-8H2,1H3,(H,15,16)(H,19,20)
InChIKeyQFCODEOURFGZKR-UHFFFAOYSA-N
MW277.32 g/mol
LogP1.59
Rot. Bonds4

About 2-[(1-oxo-1-piperidin-1-ylpropan-2-yl)amino]pyridine-4-carboxylic acid

2-[(1-oxo-1-piperidin-1-ylpropan-2-yl)amino]pyridine-4-carboxylic acid (PubChem CID 115596229) has the molecular formula C14H19N3O3 and a molecular weight of 277.32 g/mol. Its IUPAC name is 2-[(1-oxo-1-piperidin-1-ylpropan-2-yl)amino]pyridine-4-carboxylic acid.

Molecular Properties

Compound Name2-[(1-oxo-1-piperidin-1-ylpropan-2-yl)amino]pyridine-4-carboxylic acid
PubChem CID115596229
Molecular FormulaC14H19N3O3
Molecular Weight277.32 g/mol
Exact Mass277.14
IUPAC Name2-[(1-oxo-1-piperidin-1-ylpropan-2-yl)amino]pyridine-4-carboxylic acid
SMILESCC(Nc1cc(C(=O)O)ccn1)C(=O)N1CCCCC1
InChIInChI=1S/C14H19N3O3/c1-10(13(18)17-7-3-2-4-8-17)16-12-9-11(14(19)20)5-6-15-12/h5-6,9-10H,2-4,7-8H2,1H3,(H,15,16)(H,19,20)
InChIKeyQFCODEOURFGZKR-UHFFFAOYSA-N
XLogP1.59
TPSA82.53 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.32
LogP ≤ 51.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-piperidin-1-yl-2-(pyridin-2-ylamino)propan-1-one
CID 112551717
2-[(2-methylpyrimidin-4-yl)amino]-1-piperidin-1-ylpropan-1-one
CID 112695203
2-[[2-(dimethylamino)pyrimidin-4-yl]amino]-1-piperidin-1-ylpropan-1-one
CID 115643799
4-[(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)carbamoyl]pyridine-2-carboxylic acid
CID 115730315
2-[(6-methylpyridazin-3-yl)amino]-1-piperidin-1-ylpropan-1-one
CID 113408677
1-piperidin-1-yl-2-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]propan-1-one
CID 115584173
N-[(2S)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]pyridine-4-carboxamide
CID 110347461
2-[(3-fluoro-2-pyridinyl)amino]-1-piperidin-1-ylpropan-1-one
CID 112551708
2-(furo[3,2-c]pyridin-4-ylamino)-1-piperidin-1-ylpropan-1-one
CID 103911659
2-(4-acetylanilino)-1-piperidin-1-ylpropan-1-one
CID 115571713
2-(4-methylanilino)-1-piperidin-1-ylpropan-1-one
CID 43083406
1-(azepan-1-yl)-2-[4-(dimethylamino)anilino]propan-1-one
CID 43408353

Frequently Asked Questions

What is the IUPAC name of 2-[(1-oxo-1-piperidin-1-ylpropan-2-yl)amino]pyridine-4-carboxylic acid?
The IUPAC name of 2-[(1-oxo-1-piperidin-1-ylpropan-2-yl)amino]pyridine-4-carboxylic acid (CID 115596229) is 2-[(1-oxo-1-piperidin-1-ylpropan-2-yl)amino]pyridine-4-carboxylic acid.
What is the SMILES notation for 2-[(1-oxo-1-piperidin-1-ylpropan-2-yl)amino]pyridine-4-carboxylic acid?
The canonical SMILES for 2-[(1-oxo-1-piperidin-1-ylpropan-2-yl)amino]pyridine-4-carboxylic acid is CC(Nc1cc(C(=O)O)ccn1)C(=O)N1CCCCC1.
What is the InChIKey of 2-[(1-oxo-1-piperidin-1-ylpropan-2-yl)amino]pyridine-4-carboxylic acid?
The InChIKey is QFCODEOURFGZKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O3/c1-10(13(18)17-7-3-2-4-8-17)16-12-9-11(14(19)20)5-6-15-12/h5-6,9-10H,2-4,7-8H2,1H3,(H,15,16)(H,19,20).
What are the key properties of 2-[(1-oxo-1-piperidin-1-ylpropan-2-yl)amino]pyridine-4-carboxylic acid?
2-[(1-oxo-1-piperidin-1-ylpropan-2-yl)amino]pyridine-4-carboxylic acid has a molecular weight of 277.32 g/mol, XLogP of 1.59, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-oxo-1-piperidin-1-ylpropan-2-yl)amino]pyridine-4-carboxylic acid is sourced from PubChem (CID 115596229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).