N-[5-[1-(difluoromethyl)-6-oxo-3-pyridinyl]-1H-pyrazol-3-yl]-2,2-dimethyl-4-piperidin-1-ylbutanamide

C20H27F2N5O2 — CID 44621024

IUPACN-[5-[1-(difluoromethyl)-6-oxo-3-pyridinyl]-1H-pyrazol-3-yl]-2,2-dimethyl-4-piperidin-1-ylbutanamide
SMILESCC(C)(CCN1CCCCC1)C(=O)Nc1cc(-c2ccc(=O)n(C(F)F)c2)[nH]n1
InChIInChI=1S/C20H27F2N5O2/c1-20(2,8-11-26-9-4-3-5-10-26)18(29)23-16-12-15(24-25-16)14-6-7-17(28)27(13-14)19(21)22/h6-7,12-13,19H,3-5,8-11H2,1-2H3,(H2,23,24,25,29)
InChIKeyYFZJSGHWDTVYAF-UHFFFAOYSA-N
MW407.47 g/mol
LogP3.47
Rot. Bonds7

About N-[5-[1-(difluoromethyl)-6-oxo-3-pyridinyl]-1H-pyrazol-3-yl]-2,2-dimethyl-4-piperidin-1-ylbutanamide

N-[5-[1-(difluoromethyl)-6-oxo-3-pyridinyl]-1H-pyrazol-3-yl]-2,2-dimethyl-4-piperidin-1-ylbutanamide (PubChem CID 44621024) has the molecular formula C20H27F2N5O2 and a molecular weight of 407.47 g/mol. Its IUPAC name is N-[5-[1-(difluoromethyl)-6-oxo-3-pyridinyl]-1H-pyrazol-3-yl]-2,2-dimethyl-4-piperidin-1-ylbutanamide.

Molecular Properties

Compound NameN-[5-[1-(difluoromethyl)-6-oxo-3-pyridinyl]-1H-pyrazol-3-yl]-2,2-dimethyl-4-piperidin-1-ylbutanamide
PubChem CID44621024
Molecular FormulaC20H27F2N5O2
Molecular Weight407.47 g/mol
Exact Mass407.21
IUPAC NameN-[5-[1-(difluoromethyl)-6-oxo-3-pyridinyl]-1H-pyrazol-3-yl]-2,2-dimethyl-4-piperidin-1-ylbutanamide
SMILESCC(C)(CCN1CCCCC1)C(=O)Nc1cc(-c2ccc(=O)n(C(F)F)c2)[nH]n1
InChIInChI=1S/C20H27F2N5O2/c1-20(2,8-11-26-9-4-3-5-10-26)18(29)23-16-12-15(24-25-16)14-6-7-17(28)27(13-14)19(21)22/h6-7,12-13,19H,3-5,8-11H2,1-2H3,(H2,23,24,25,29)
InChIKeyYFZJSGHWDTVYAF-UHFFFAOYSA-N
XLogP3.47
TPSA83.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.47
LogP ≤ 53.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(5-tert-butyl-1H-pyrazol-3-yl)-4-piperidin-1-ylbutanamide
CID 71459241
N-[1-(5-cyclopropyl-1H-pyrazol-3-yl)piperidin-4-yl]-1-methyl-2-oxo-1,2-dihydropyridine-3-carboxamide
CID 91631985
N-[5-[1-(difluoromethyl)-6-oxopyridin-3-yl]-1H-pyrazol-3-yl]-3,3-dimethyl-4-piperidin-1-ylbutanamide
CID 44621195
N-[5-(1-difluoromethyl-6-oxo-1,6-dihydro-pyridin-3-yl)-1H-pyrazol-3-yl]-4-piperidin-1-yl-butyramide
CID 44621228
N-[5-[1-(difluoromethyl)-6-oxopyridin-3-yl]-1H-pyrazol-3-yl]-3-methyl-4-piperidin-1-ylbutanamide
CID 45107277
N-[5-[1-(difluoromethyl)-6-oxopyridin-3-yl]-1H-pyrazol-3-yl]-2-methyl-4-piperidin-1-ylbutanamide
CID 45107304
N-[5-[1-(difluoromethyl)-6-oxopyridin-3-yl]-1H-pyrazol-3-yl]-3-methyl-4-pyrrolidin-1-ylbutanamide
CID 59333035
N-[5-[1-(difluoromethyl)-6-oxopyridin-3-yl]-1H-pyrazol-3-yl]-3,3-dimethyl-4-pyrrolidin-1-ylbutanamide
CID 59333043
N-[5-[1-(difluoromethyl)-6-oxopyridin-3-yl]-1H-pyrazol-3-yl]-2-methyl-4-pyrrolidin-1-ylbutanamide
CID 59333086
N-[5-[1-(difluoromethyl)-6-oxopyridin-3-yl]-1H-pyrazol-3-yl]-2,2-dimethyl-4-pyrrolidin-1-ylbutanamide
CID 59333093
N-[5-[1-(difluoromethyl)-6-oxopyridin-3-yl]-1H-pyrazol-3-yl]-4-pyrrolidin-1-ylbutanamide
CID 59333107
1-(difluoromethyl)-5-[3-[(1-hydroxy-4-piperidin-1-ylbutyl)amino]-1H-pyrazol-5-yl]pyridin-2-one
CID 91460519

Frequently Asked Questions

What is the IUPAC name of N-[5-[1-(difluoromethyl)-6-oxo-3-pyridinyl]-1H-pyrazol-3-yl]-2,2-dimethyl-4-piperidin-1-ylbutanamide?
The IUPAC name of N-[5-[1-(difluoromethyl)-6-oxo-3-pyridinyl]-1H-pyrazol-3-yl]-2,2-dimethyl-4-piperidin-1-ylbutanamide (CID 44621024) is N-[5-[1-(difluoromethyl)-6-oxo-3-pyridinyl]-1H-pyrazol-3-yl]-2,2-dimethyl-4-piperidin-1-ylbutanamide.
What is the SMILES notation for N-[5-[1-(difluoromethyl)-6-oxo-3-pyridinyl]-1H-pyrazol-3-yl]-2,2-dimethyl-4-piperidin-1-ylbutanamide?
The canonical SMILES for N-[5-[1-(difluoromethyl)-6-oxo-3-pyridinyl]-1H-pyrazol-3-yl]-2,2-dimethyl-4-piperidin-1-ylbutanamide is CC(C)(CCN1CCCCC1)C(=O)Nc1cc(-c2ccc(=O)n(C(F)F)c2)[nH]n1.
What is the InChIKey of N-[5-[1-(difluoromethyl)-6-oxo-3-pyridinyl]-1H-pyrazol-3-yl]-2,2-dimethyl-4-piperidin-1-ylbutanamide?
The InChIKey is YFZJSGHWDTVYAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27F2N5O2/c1-20(2,8-11-26-9-4-3-5-10-26)18(29)23-16-12-15(24-25-16)14-6-7-17(28)27(13-14)19(21)22/h6-7,12-13,19H,3-5,8-11H2,1-2H3,(H2,23,24,25,29).
What are the key properties of N-[5-[1-(difluoromethyl)-6-oxo-3-pyridinyl]-1H-pyrazol-3-yl]-2,2-dimethyl-4-piperidin-1-ylbutanamide?
N-[5-[1-(difluoromethyl)-6-oxo-3-pyridinyl]-1H-pyrazol-3-yl]-2,2-dimethyl-4-piperidin-1-ylbutanamide has a molecular weight of 407.47 g/mol, XLogP of 3.47, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[1-(difluoromethyl)-6-oxo-3-pyridinyl]-1H-pyrazol-3-yl]-2,2-dimethyl-4-piperidin-1-ylbutanamide is sourced from PubChem (CID 44621024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).