4-[4-(3-methylbutan-2-ylcarbamoyl)piperidin-1-yl]pyridine-3-carboxamide

C17H26N4O2 — CID 133469351

IUPAC4-[4-(3-methylbutan-2-ylcarbamoyl)piperidin-1-yl]pyridine-3-carboxamide
SMILESCC(C)C(C)NC(=O)C1CCN(c2ccncc2C(N)=O)CC1
InChIInChI=1S/C17H26N4O2/c1-11(2)12(3)20-17(23)13-5-8-21(9-6-13)15-4-7-19-10-14(15)16(18)22/h4,7,10-13H,5-6,8-9H2,1-3H3,(H2,18,22)(H,20,23)
InChIKeyJTXCLKSFXSWTFO-UHFFFAOYSA-N
MW318.42 g/mol
LogP1.56
Rot. Bonds5

About 4-[4-(3-methylbutan-2-ylcarbamoyl)piperidin-1-yl]pyridine-3-carboxamide

4-[4-(3-methylbutan-2-ylcarbamoyl)piperidin-1-yl]pyridine-3-carboxamide (PubChem CID 133469351) has the molecular formula C17H26N4O2 and a molecular weight of 318.42 g/mol. Its IUPAC name is 4-[4-(3-methylbutan-2-ylcarbamoyl)piperidin-1-yl]pyridine-3-carboxamide.

Molecular Properties

Compound Name4-[4-(3-methylbutan-2-ylcarbamoyl)piperidin-1-yl]pyridine-3-carboxamide
PubChem CID133469351
Molecular FormulaC17H26N4O2
Molecular Weight318.42 g/mol
Exact Mass318.21
IUPAC Name4-[4-(3-methylbutan-2-ylcarbamoyl)piperidin-1-yl]pyridine-3-carboxamide
SMILESCC(C)C(C)NC(=O)C1CCN(c2ccncc2C(N)=O)CC1
InChIInChI=1S/C17H26N4O2/c1-11(2)12(3)20-17(23)13-5-8-21(9-6-13)15-4-7-19-10-14(15)16(18)22/h4,7,10-13H,5-6,8-9H2,1-3H3,(H2,18,22)(H,20,23)
InChIKeyJTXCLKSFXSWTFO-UHFFFAOYSA-N
XLogP1.56
TPSA88.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.42
LogP ≤ 51.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[4-(dimethylamino)piperidin-1-yl]pyridine-3-carboxamide
CID 133442039
4-[4-(N-methylanilino)piperidin-1-yl]pyridine-3-carboxamide
CID 133470712
4-(4-tert-butylazepan-1-yl)pyridine-3-carboxamide
CID 133471382
N-(3-methylbutan-2-yl)-1-(6-methylpyrazin-2-yl)piperidine-4-carboxamide
CID 133469352
N-[(2R)-3-methylbutan-2-yl]-1-(2-nitrophenyl)piperidine-4-carboxamide
CID 40809904
4-[3-[(2-methylpropanoylamino)methyl]piperidin-1-yl]pyridine-3-carboxamide
CID 133469712
4-[4-(phenylcarbamoylamino)piperidin-1-yl]pyridine-3-carboxamide
CID 133468526
4-(4-ethylsulfonylpiperazin-1-yl)pyridine-3-carboxamide
CID 133443019
1-(3,6-dimethylpyrazin-2-yl)-N-[(2R)-3-methylbutan-2-yl]piperidine-4-carboxamide
CID 99855067
4-[4-(4-fluorophenoxy)piperidin-1-yl]pyridine-3-carboxamide
CID 133454831
4-[3-(azepan-1-yl)piperidin-1-yl]pyridine-3-carboxamide
CID 133470685
1-[4-(4-methylpiperidin-1-yl)-3-pyridinyl]ethanone
CID 83888249

Frequently Asked Questions

What is the IUPAC name of 4-[4-(3-methylbutan-2-ylcarbamoyl)piperidin-1-yl]pyridine-3-carboxamide?
The IUPAC name of 4-[4-(3-methylbutan-2-ylcarbamoyl)piperidin-1-yl]pyridine-3-carboxamide (CID 133469351) is 4-[4-(3-methylbutan-2-ylcarbamoyl)piperidin-1-yl]pyridine-3-carboxamide.
What is the SMILES notation for 4-[4-(3-methylbutan-2-ylcarbamoyl)piperidin-1-yl]pyridine-3-carboxamide?
The canonical SMILES for 4-[4-(3-methylbutan-2-ylcarbamoyl)piperidin-1-yl]pyridine-3-carboxamide is CC(C)C(C)NC(=O)C1CCN(c2ccncc2C(N)=O)CC1.
What is the InChIKey of 4-[4-(3-methylbutan-2-ylcarbamoyl)piperidin-1-yl]pyridine-3-carboxamide?
The InChIKey is JTXCLKSFXSWTFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N4O2/c1-11(2)12(3)20-17(23)13-5-8-21(9-6-13)15-4-7-19-10-14(15)16(18)22/h4,7,10-13H,5-6,8-9H2,1-3H3,(H2,18,22)(H,20,23).
What are the key properties of 4-[4-(3-methylbutan-2-ylcarbamoyl)piperidin-1-yl]pyridine-3-carboxamide?
4-[4-(3-methylbutan-2-ylcarbamoyl)piperidin-1-yl]pyridine-3-carboxamide has a molecular weight of 318.42 g/mol, XLogP of 1.56, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(3-methylbutan-2-ylcarbamoyl)piperidin-1-yl]pyridine-3-carboxamide is sourced from PubChem (CID 133469351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).