N-[5-(5-fluoro-3-pyridinyl)-1H-pyrazol-3-yl]-3-methyl-4-piperidin-1-ylbutanamide

C18H24FN5O — CID 45107276

IUPACN-[5-(5-fluoro-3-pyridinyl)-1H-pyrazol-3-yl]-3-methyl-4-piperidin-1-ylbutanamide
SMILESCC(CC(=O)Nc1cc(-c2cncc(F)c2)[nH]n1)CN1CCCCC1
InChIInChI=1S/C18H24FN5O/c1-13(12-24-5-3-2-4-6-24)7-18(25)21-17-9-16(22-23-17)14-8-15(19)11-20-10-14/h8-11,13H,2-7,12H2,1H3,(H2,21,22,23,25)
InChIKeyPEDNXLVKRRWDST-UHFFFAOYSA-N
MW345.42 g/mol
LogP3.06
Rot. Bonds6

About N-[5-(5-fluoro-3-pyridinyl)-1H-pyrazol-3-yl]-3-methyl-4-piperidin-1-ylbutanamide

N-[5-(5-fluoro-3-pyridinyl)-1H-pyrazol-3-yl]-3-methyl-4-piperidin-1-ylbutanamide (PubChem CID 45107276) has the molecular formula C18H24FN5O and a molecular weight of 345.42 g/mol. Its IUPAC name is N-[5-(5-fluoro-3-pyridinyl)-1H-pyrazol-3-yl]-3-methyl-4-piperidin-1-ylbutanamide.

Molecular Properties

Compound NameN-[5-(5-fluoro-3-pyridinyl)-1H-pyrazol-3-yl]-3-methyl-4-piperidin-1-ylbutanamide
PubChem CID45107276
Molecular FormulaC18H24FN5O
Molecular Weight345.42 g/mol
Exact Mass345.20
IUPAC NameN-[5-(5-fluoro-3-pyridinyl)-1H-pyrazol-3-yl]-3-methyl-4-piperidin-1-ylbutanamide
SMILESCC(CC(=O)Nc1cc(-c2cncc(F)c2)[nH]n1)CN1CCCCC1
InChIInChI=1S/C18H24FN5O/c1-13(12-24-5-3-2-4-6-24)7-18(25)21-17-9-16(22-23-17)14-8-15(19)11-20-10-14/h8-11,13H,2-7,12H2,1H3,(H2,21,22,23,25)
InChIKeyPEDNXLVKRRWDST-UHFFFAOYSA-N
XLogP3.06
TPSA73.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.42
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[5-(5-fluoro-3-pyridinyl)-1H-pyrazol-3-yl]-3-methyl-4-piperidin-1-ylbutanamide?
The IUPAC name of N-[5-(5-fluoro-3-pyridinyl)-1H-pyrazol-3-yl]-3-methyl-4-piperidin-1-ylbutanamide (CID 45107276) is N-[5-(5-fluoro-3-pyridinyl)-1H-pyrazol-3-yl]-3-methyl-4-piperidin-1-ylbutanamide.
What is the SMILES notation for N-[5-(5-fluoro-3-pyridinyl)-1H-pyrazol-3-yl]-3-methyl-4-piperidin-1-ylbutanamide?
The canonical SMILES for N-[5-(5-fluoro-3-pyridinyl)-1H-pyrazol-3-yl]-3-methyl-4-piperidin-1-ylbutanamide is CC(CC(=O)Nc1cc(-c2cncc(F)c2)[nH]n1)CN1CCCCC1.
What is the InChIKey of N-[5-(5-fluoro-3-pyridinyl)-1H-pyrazol-3-yl]-3-methyl-4-piperidin-1-ylbutanamide?
The InChIKey is PEDNXLVKRRWDST-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24FN5O/c1-13(12-24-5-3-2-4-6-24)7-18(25)21-17-9-16(22-23-17)14-8-15(19)11-20-10-14/h8-11,13H,2-7,12H2,1H3,(H2,21,22,23,25).
What are the key properties of N-[5-(5-fluoro-3-pyridinyl)-1H-pyrazol-3-yl]-3-methyl-4-piperidin-1-ylbutanamide?
N-[5-(5-fluoro-3-pyridinyl)-1H-pyrazol-3-yl]-3-methyl-4-piperidin-1-ylbutanamide has a molecular weight of 345.42 g/mol, XLogP of 3.06, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(5-fluoro-3-pyridinyl)-1H-pyrazol-3-yl]-3-methyl-4-piperidin-1-ylbutanamide is sourced from PubChem (CID 45107276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).