2-[[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-2-carbonyl]amino]pyridine-3-carboxylic acid

C17H23N3O5 — CID 156529148

IUPAC2-[[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-2-carbonyl]amino]pyridine-3-carboxylic acid
SMILESCC(C)(C)OC(=O)N1CCCCC1C(=O)Nc1ncccc1C(=O)O
InChIInChI=1S/C17H23N3O5/c1-17(2,3)25-16(24)20-10-5-4-8-12(20)14(21)19-13-11(15(22)23)7-6-9-18-13/h6-7,9,12H,4-5,8,10H2,1-3H3,(H,22,23)(H,18,19,21)
InChIKeyKRHFHPPCNFEJCR-UHFFFAOYSA-N
MW349.39 g/mol
LogP2.51
Rot. Bonds3

About 2-[[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-2-carbonyl]amino]pyridine-3-carboxylic acid

2-[[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-2-carbonyl]amino]pyridine-3-carboxylic acid (PubChem CID 156529148) has the molecular formula C17H23N3O5 and a molecular weight of 349.39 g/mol. Its IUPAC name is 2-[[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-2-carbonyl]amino]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name2-[[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-2-carbonyl]amino]pyridine-3-carboxylic acid
PubChem CID156529148
Molecular FormulaC17H23N3O5
Molecular Weight349.39 g/mol
Exact Mass349.16
IUPAC Name2-[[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-2-carbonyl]amino]pyridine-3-carboxylic acid
SMILESCC(C)(C)OC(=O)N1CCCCC1C(=O)Nc1ncccc1C(=O)O
InChIInChI=1S/C17H23N3O5/c1-17(2,3)25-16(24)20-10-5-4-8-12(20)14(21)19-13-11(15(22)23)7-6-9-18-13/h6-7,9,12H,4-5,8,10H2,1-3H3,(H,22,23)(H,18,19,21)
InChIKeyKRHFHPPCNFEJCR-UHFFFAOYSA-N
XLogP2.51
TPSA108.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.39
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-[[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-2-carbonyl]amino]pyridine-3-carboxylic acid with MolForge

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Related Compounds

tert-butyl (2R)-2-(phenylcarbamoyl)piperidine-1-carboxylate
CID 52774591
tert-butyl (2S)-2-(quinolin-8-ylcarbamoyl)pyrrolidine-1-carboxylate
CID 69444585
tert-butyl 2-[[4-(trifluoromethyl)-2-pyridinyl]carbamoyl]piperidine-1-carboxylate
CID 70865351
2-(cyclobutanecarbonylamino)pyridine-3-carboxylic acid
CID 63654626
tert-butyl 2-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoyl]piperidine-1-carboxylate
CID 68786586
tert-butyl 2-[[6-(trifluoromethyl)-2-pyridinyl]carbamoyl]piperidine-1-carboxylate
CID 70865337
tert-butyl 2-[[3-[(5-methyl-2,3-dihydro-1H-inden-2-yl)carbamoyl]pyrazin-2-yl]carbamoyl]piperidine-1-carboxylate
CID 170117135
tert-butyl (2R)-2-[[(1R)-1-pyridin-4-ylethyl]carbamoyl]piperidine-1-carboxylate
CID 95179847
tert-butyl (2S)-2-[[5-[2-[6-[[(2S)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carbonyl]amino]-3-pyridinyl]ethynyl]-2-pyridinyl]carbamoyl]pyrrolidine-1-carboxylate
CID 59266626
tert-butyl (2S)-2-[(2,6-dimethylphenyl)carbamoyl]pyrrolidine-1-carboxylate
CID 797692
tert-butyl (2S)-2-[(4-methoxy-3-pyridinyl)carbamoyl]piperidine-1-carboxylate
CID 75467196
tert-butyl (2S)-2-[(4-phenoxyphenyl)carbamoyl]pyrrolidine-1-carboxylate
CID 70174711

Frequently Asked Questions

What is the IUPAC name of 2-[[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-2-carbonyl]amino]pyridine-3-carboxylic acid?
The IUPAC name of 2-[[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-2-carbonyl]amino]pyridine-3-carboxylic acid (CID 156529148) is 2-[[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-2-carbonyl]amino]pyridine-3-carboxylic acid.
What is the SMILES notation for 2-[[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-2-carbonyl]amino]pyridine-3-carboxylic acid?
The canonical SMILES for 2-[[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-2-carbonyl]amino]pyridine-3-carboxylic acid is CC(C)(C)OC(=O)N1CCCCC1C(=O)Nc1ncccc1C(=O)O.
What is the InChIKey of 2-[[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-2-carbonyl]amino]pyridine-3-carboxylic acid?
The InChIKey is KRHFHPPCNFEJCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O5/c1-17(2,3)25-16(24)20-10-5-4-8-12(20)14(21)19-13-11(15(22)23)7-6-9-18-13/h6-7,9,12H,4-5,8,10H2,1-3H3,(H,22,23)(H,18,19,21).
What are the key properties of 2-[[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-2-carbonyl]amino]pyridine-3-carboxylic acid?
2-[[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-2-carbonyl]amino]pyridine-3-carboxylic acid has a molecular weight of 349.39 g/mol, XLogP of 2.51, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-2-carbonyl]amino]pyridine-3-carboxylic acid is sourced from PubChem (CID 156529148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).