propan-2-yl 4-[[3-(methylcarbamoyl)-2-pyridinyl]amino]piperidine-1-carboxylate

C16H24N4O3 — CID 133352925

IUPACpropan-2-yl 4-[[3-(methylcarbamoyl)-2-pyridinyl]amino]piperidine-1-carboxylate
SMILESCNC(=O)c1cccnc1NC1CCN(C(=O)OC(C)C)CC1
InChIInChI=1S/C16H24N4O3/c1-11(2)23-16(22)20-9-6-12(7-10-20)19-14-13(15(21)17-3)5-4-8-18-14/h4-5,8,11-12H,6-7,9-10H2,1-3H3,(H,17,21)(H,18,19)
InChIKeyHJLQALYKQMOQMY-UHFFFAOYSA-N
MW320.39 g/mol
LogP1.86
Rot. Bonds4

About propan-2-yl 4-[[3-(methylcarbamoyl)-2-pyridinyl]amino]piperidine-1-carboxylate

propan-2-yl 4-[[3-(methylcarbamoyl)-2-pyridinyl]amino]piperidine-1-carboxylate (PubChem CID 133352925) has the molecular formula C16H24N4O3 and a molecular weight of 320.39 g/mol. Its IUPAC name is propan-2-yl 4-[[3-(methylcarbamoyl)-2-pyridinyl]amino]piperidine-1-carboxylate.

Molecular Properties

Compound Namepropan-2-yl 4-[[3-(methylcarbamoyl)-2-pyridinyl]amino]piperidine-1-carboxylate
PubChem CID133352925
Molecular FormulaC16H24N4O3
Molecular Weight320.39 g/mol
Exact Mass320.18
IUPAC Namepropan-2-yl 4-[[3-(methylcarbamoyl)-2-pyridinyl]amino]piperidine-1-carboxylate
SMILESCNC(=O)c1cccnc1NC1CCN(C(=O)OC(C)C)CC1
InChIInChI=1S/C16H24N4O3/c1-11(2)23-16(22)20-9-6-12(7-10-20)19-14-13(15(21)17-3)5-4-8-18-14/h4-5,8,11-12H,6-7,9-10H2,1-3H3,(H,17,21)(H,18,19)
InChIKeyHJLQALYKQMOQMY-UHFFFAOYSA-N
XLogP1.86
TPSA83.56 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.39
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

propan-2-yl 4-[[3-(piperidine-1-carbonyl)-2-pyridinyl]amino]piperidine-1-carboxylate
CID 133352908
2-(cyclopropylamino)-N-propan-2-ylpyridine-3-carboxamide
CID 84574880
propan-2-yl 2-[(1-phenylpyrrolidin-3-yl)amino]pyridine-3-carboxylate
CID 133470577
N-methyl-2-[(1-methyl-6-oxopiperidin-3-yl)amino]pyridine-3-carboxamide
CID 134703000
propan-2-yl 4-[(5-bromo-3-methyl-2-pyridinyl)amino]piperidine-1-carboxylate
CID 133360474
ethyl 4-[(3-cyano-2-pyridinyl)amino]piperidine-1-carboxylate
CID 24710040
methyl 2-(cyclopropylamino)pyridine-3-carboxylate
CID 60722666
propan-2-yl 4-(1H-benzimidazol-2-ylamino)piperidine-1-carboxylate
CID 14751342
N-methyl-2-[[1-(1-methylpyrazol-4-yl)piperidin-3-yl]amino]pyridine-3-carboxamide
CID 133330173
2-(cycloheptylamino)pyridine-3-carboxylic acid
CID 43236673
propan-2-yl 4-[(5-propan-2-yl-1,3,4-thiadiazol-2-yl)amino]piperidine-1-carboxylate
CID 71913744
N-methyl-2-[2-(3-methylpiperidin-1-yl)propylamino]pyridine-3-carboxamide
CID 133328259

Frequently Asked Questions

What is the IUPAC name of propan-2-yl 4-[[3-(methylcarbamoyl)-2-pyridinyl]amino]piperidine-1-carboxylate?
The IUPAC name of propan-2-yl 4-[[3-(methylcarbamoyl)-2-pyridinyl]amino]piperidine-1-carboxylate (CID 133352925) is propan-2-yl 4-[[3-(methylcarbamoyl)-2-pyridinyl]amino]piperidine-1-carboxylate.
What is the SMILES notation for propan-2-yl 4-[[3-(methylcarbamoyl)-2-pyridinyl]amino]piperidine-1-carboxylate?
The canonical SMILES for propan-2-yl 4-[[3-(methylcarbamoyl)-2-pyridinyl]amino]piperidine-1-carboxylate is CNC(=O)c1cccnc1NC1CCN(C(=O)OC(C)C)CC1.
What is the InChIKey of propan-2-yl 4-[[3-(methylcarbamoyl)-2-pyridinyl]amino]piperidine-1-carboxylate?
The InChIKey is HJLQALYKQMOQMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4O3/c1-11(2)23-16(22)20-9-6-12(7-10-20)19-14-13(15(21)17-3)5-4-8-18-14/h4-5,8,11-12H,6-7,9-10H2,1-3H3,(H,17,21)(H,18,19).
What are the key properties of propan-2-yl 4-[[3-(methylcarbamoyl)-2-pyridinyl]amino]piperidine-1-carboxylate?
propan-2-yl 4-[[3-(methylcarbamoyl)-2-pyridinyl]amino]piperidine-1-carboxylate has a molecular weight of 320.39 g/mol, XLogP of 1.86, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 4-[[3-(methylcarbamoyl)-2-pyridinyl]amino]piperidine-1-carboxylate is sourced from PubChem (CID 133352925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).