6-[[1-(3,3-dimethylbutanoyl)piperidin-4-yl]amino]pyridine-2-carboxamide

C17H26N4O2 — CID 173112160

IUPAC6-[[1-(3,3-dimethylbutanoyl)piperidin-4-yl]amino]pyridine-2-carboxamide
SMILESCC(C)(C)CC(=O)N1CCC(Nc2cccc(C(N)=O)n2)CC1
InChIInChI=1S/C17H26N4O2/c1-17(2,3)11-15(22)21-9-7-12(8-10-21)19-14-6-4-5-13(20-14)16(18)23/h4-6,12H,7-11H2,1-3H3,(H2,18,23)(H,19,20)
InChIKeyOBXSYUOGJKZOOH-UHFFFAOYSA-N
MW318.42 g/mol
LogP2.02
Rot. Bonds4

About 6-[[1-(3,3-dimethylbutanoyl)piperidin-4-yl]amino]pyridine-2-carboxamide

6-[[1-(3,3-dimethylbutanoyl)piperidin-4-yl]amino]pyridine-2-carboxamide (PubChem CID 173112160) has the molecular formula C17H26N4O2 and a molecular weight of 318.42 g/mol. Its IUPAC name is 6-[[1-(3,3-dimethylbutanoyl)piperidin-4-yl]amino]pyridine-2-carboxamide.

Molecular Properties

Compound Name6-[[1-(3,3-dimethylbutanoyl)piperidin-4-yl]amino]pyridine-2-carboxamide
PubChem CID173112160
Molecular FormulaC17H26N4O2
Molecular Weight318.42 g/mol
Exact Mass318.21
IUPAC Name6-[[1-(3,3-dimethylbutanoyl)piperidin-4-yl]amino]pyridine-2-carboxamide
SMILESCC(C)(C)CC(=O)N1CCC(Nc2cccc(C(N)=O)n2)CC1
InChIInChI=1S/C17H26N4O2/c1-17(2,3)11-15(22)21-9-7-12(8-10-21)19-14-6-4-5-13(20-14)16(18)23/h4-6,12H,7-11H2,1-3H3,(H2,18,23)(H,19,20)
InChIKeyOBXSYUOGJKZOOH-UHFFFAOYSA-N
XLogP2.02
TPSA88.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.42
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-[[1-(3-methylbutanoyl)piperidin-4-yl]amino]pyridine-2-carboxylic acid
CID 122053315
6-(azetidin-3-ylamino)pyridine-2-carboxamide
CID 66188207
6-[(3-aminocyclobutyl)amino]pyridine-2-carboxamide
CID 64588385
4-[(6-carbamoyl-2-pyridinyl)amino]cyclohexane-1-carboxylic acid
CID 64587755
[6-(cyclopropylamino)-2-pyridinyl]-piperidin-1-ylmethanone
CID 84570721
3,3-dimethyl-1-[4-[(2-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)amino]piperidin-1-yl]butan-1-one
CID 167832774
6-[(1-amino-2-cyclopropylpropan-2-yl)amino]pyridine-2-carboxamide
CID 113283634
2-[4-[(6-bromo-2-pyridinyl)amino]piperidin-1-yl]acetamide
CID 114156475
2-[4-[(6-methyl-2-pyridinyl)amino]piperidin-1-yl]acetamide
CID 54895410
N-[1-(3,3-dimethylbutanoyl)piperidin-4-yl]-2-(3-methylphenyl)acetamide
CID 110822276
N-[1-(3,3-dimethylbutanoyl)piperidin-4-yl]-2-(3-fluorophenyl)acetamide
CID 110822279
6-[(1-cyclohexylpiperidin-4-yl)amino]pyridine-2-carboxylic acid
CID 122048859

Frequently Asked Questions

What is the IUPAC name of 6-[[1-(3,3-dimethylbutanoyl)piperidin-4-yl]amino]pyridine-2-carboxamide?
The IUPAC name of 6-[[1-(3,3-dimethylbutanoyl)piperidin-4-yl]amino]pyridine-2-carboxamide (CID 173112160) is 6-[[1-(3,3-dimethylbutanoyl)piperidin-4-yl]amino]pyridine-2-carboxamide.
What is the SMILES notation for 6-[[1-(3,3-dimethylbutanoyl)piperidin-4-yl]amino]pyridine-2-carboxamide?
The canonical SMILES for 6-[[1-(3,3-dimethylbutanoyl)piperidin-4-yl]amino]pyridine-2-carboxamide is CC(C)(C)CC(=O)N1CCC(Nc2cccc(C(N)=O)n2)CC1.
What is the InChIKey of 6-[[1-(3,3-dimethylbutanoyl)piperidin-4-yl]amino]pyridine-2-carboxamide?
The InChIKey is OBXSYUOGJKZOOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N4O2/c1-17(2,3)11-15(22)21-9-7-12(8-10-21)19-14-6-4-5-13(20-14)16(18)23/h4-6,12H,7-11H2,1-3H3,(H2,18,23)(H,19,20).
What are the key properties of 6-[[1-(3,3-dimethylbutanoyl)piperidin-4-yl]amino]pyridine-2-carboxamide?
6-[[1-(3,3-dimethylbutanoyl)piperidin-4-yl]amino]pyridine-2-carboxamide has a molecular weight of 318.42 g/mol, XLogP of 2.02, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[1-(3,3-dimethylbutanoyl)piperidin-4-yl]amino]pyridine-2-carboxamide is sourced from PubChem (CID 173112160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).