6-[[(2S)-1-[(2R)-2-methylpiperidin-1-yl]-1-oxopropan-2-yl]amino]pyridine-2-carboxamide

C15H22N4O2 — CID 97349074

IUPAC6-[[(2S)-1-[(2R)-2-methylpiperidin-1-yl]-1-oxopropan-2-yl]amino]pyridine-2-carboxamide
SMILESC[C@H](Nc1cccc(C(N)=O)n1)C(=O)N1CCCC[C@H]1C
InChIInChI=1S/C15H22N4O2/c1-10-6-3-4-9-19(10)15(21)11(2)17-13-8-5-7-12(18-13)14(16)20/h5,7-8,10-11H,3-4,6,9H2,1-2H3,(H2,16,20)(H,17,18)/t10-,11+/m1/s1
InChIKeyCENFMHNGCCFEJD-MNOVXSKESA-N
MW290.37 g/mol
LogP1.38
Rot. Bonds4

About 6-[[(2S)-1-[(2R)-2-methylpiperidin-1-yl]-1-oxopropan-2-yl]amino]pyridine-2-carboxamide

6-[[(2S)-1-[(2R)-2-methylpiperidin-1-yl]-1-oxopropan-2-yl]amino]pyridine-2-carboxamide (PubChem CID 97349074) has the molecular formula C15H22N4O2 and a molecular weight of 290.37 g/mol. Its IUPAC name is 6-[[(2S)-1-[(2R)-2-methylpiperidin-1-yl]-1-oxopropan-2-yl]amino]pyridine-2-carboxamide.

Molecular Properties

Compound Name6-[[(2S)-1-[(2R)-2-methylpiperidin-1-yl]-1-oxopropan-2-yl]amino]pyridine-2-carboxamide
PubChem CID97349074
Molecular FormulaC15H22N4O2
Molecular Weight290.37 g/mol
Exact Mass290.17
IUPAC Name6-[[(2S)-1-[(2R)-2-methylpiperidin-1-yl]-1-oxopropan-2-yl]amino]pyridine-2-carboxamide
SMILESC[C@H](Nc1cccc(C(N)=O)n1)C(=O)N1CCCC[C@H]1C
InChIInChI=1S/C15H22N4O2/c1-10-6-3-4-9-19(10)15(21)11(2)17-13-8-5-7-12(18-13)14(16)20/h5,7-8,10-11H,3-4,6,9H2,1-2H3,(H2,16,20)(H,17,18)/t10-,11+/m1/s1
InChIKeyCENFMHNGCCFEJD-MNOVXSKESA-N
XLogP1.38
TPSA88.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.37
LogP ≤ 51.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-[[(2S)-1-[(2R)-2-methylpiperidin-1-yl]-1-oxopropan-2-yl]amino]pyridine-2-carboxamide?
The IUPAC name of 6-[[(2S)-1-[(2R)-2-methylpiperidin-1-yl]-1-oxopropan-2-yl]amino]pyridine-2-carboxamide (CID 97349074) is 6-[[(2S)-1-[(2R)-2-methylpiperidin-1-yl]-1-oxopropan-2-yl]amino]pyridine-2-carboxamide.
What is the SMILES notation for 6-[[(2S)-1-[(2R)-2-methylpiperidin-1-yl]-1-oxopropan-2-yl]amino]pyridine-2-carboxamide?
The canonical SMILES for 6-[[(2S)-1-[(2R)-2-methylpiperidin-1-yl]-1-oxopropan-2-yl]amino]pyridine-2-carboxamide is C[C@H](Nc1cccc(C(N)=O)n1)C(=O)N1CCCC[C@H]1C.
What is the InChIKey of 6-[[(2S)-1-[(2R)-2-methylpiperidin-1-yl]-1-oxopropan-2-yl]amino]pyridine-2-carboxamide?
The InChIKey is CENFMHNGCCFEJD-MNOVXSKESA-N. The full InChI is InChI=1S/C15H22N4O2/c1-10-6-3-4-9-19(10)15(21)11(2)17-13-8-5-7-12(18-13)14(16)20/h5,7-8,10-11H,3-4,6,9H2,1-2H3,(H2,16,20)(H,17,18)/t10-,11+/m1/s1.
What are the key properties of 6-[[(2S)-1-[(2R)-2-methylpiperidin-1-yl]-1-oxopropan-2-yl]amino]pyridine-2-carboxamide?
6-[[(2S)-1-[(2R)-2-methylpiperidin-1-yl]-1-oxopropan-2-yl]amino]pyridine-2-carboxamide has a molecular weight of 290.37 g/mol, XLogP of 1.38, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[(2S)-1-[(2R)-2-methylpiperidin-1-yl]-1-oxopropan-2-yl]amino]pyridine-2-carboxamide is sourced from PubChem (CID 97349074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).