(2R)-6-(4-chloro-2-pyridinyl)-N-[1-(difluoromethyl)pyrazol-4-yl]-6,6-dimethoxy-2-methylhexanamide

C18H23ClF2N4O3 — CID 163255743

IUPAC(2R)-6-(4-chloro-2-pyridinyl)-N-[1-(difluoromethyl)pyrazol-4-yl]-6,6-dimethoxy-2-methylhexanamide
SMILESCOC(CCC[C@@H](C)C(=O)Nc1cnn(C(F)F)c1)(OC)c1cc(Cl)ccn1
InChIInChI=1S/C18H23ClF2N4O3/c1-12(16(26)24-14-10-23-25(11-14)17(20)21)5-4-7-18(27-2,28-3)15-9-13(19)6-8-22-15/h6,8-12,17H,4-5,7H2,1-3H3,(H,24,26)/t12-/m1/s1
InChIKeyJJUSFIUNAHFAGL-GFCCVEGCSA-N
MW416.86 g/mol
LogP4.22
Rot. Bonds10

About (2R)-6-(4-chloro-2-pyridinyl)-N-[1-(difluoromethyl)pyrazol-4-yl]-6,6-dimethoxy-2-methylhexanamide

(2R)-6-(4-chloro-2-pyridinyl)-N-[1-(difluoromethyl)pyrazol-4-yl]-6,6-dimethoxy-2-methylhexanamide (PubChem CID 163255743) has the molecular formula C18H23ClF2N4O3 and a molecular weight of 416.86 g/mol. Its IUPAC name is (2R)-6-(4-chloro-2-pyridinyl)-N-[1-(difluoromethyl)pyrazol-4-yl]-6,6-dimethoxy-2-methylhexanamide.

Molecular Properties

Compound Name(2R)-6-(4-chloro-2-pyridinyl)-N-[1-(difluoromethyl)pyrazol-4-yl]-6,6-dimethoxy-2-methylhexanamide
PubChem CID163255743
Molecular FormulaC18H23ClF2N4O3
Molecular Weight416.86 g/mol
Exact Mass416.14
IUPAC Name(2R)-6-(4-chloro-2-pyridinyl)-N-[1-(difluoromethyl)pyrazol-4-yl]-6,6-dimethoxy-2-methylhexanamide
SMILESCOC(CCC[C@@H](C)C(=O)Nc1cnn(C(F)F)c1)(OC)c1cc(Cl)ccn1
InChIInChI=1S/C18H23ClF2N4O3/c1-12(16(26)24-14-10-23-25(11-14)17(20)21)5-4-7-18(27-2,28-3)15-9-13(19)6-8-22-15/h6,8-12,17H,4-5,7H2,1-3H3,(H,24,26)/t12-/m1/s1
InChIKeyJJUSFIUNAHFAGL-GFCCVEGCSA-N
XLogP4.22
TPSA78.27 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.86
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2R)-6-(4-chloro-2-pyridinyl)-N-[1-(difluoromethyl)pyrazol-4-yl]-6,6-dimethoxy-2-methylhexanamide?
The IUPAC name of (2R)-6-(4-chloro-2-pyridinyl)-N-[1-(difluoromethyl)pyrazol-4-yl]-6,6-dimethoxy-2-methylhexanamide (CID 163255743) is (2R)-6-(4-chloro-2-pyridinyl)-N-[1-(difluoromethyl)pyrazol-4-yl]-6,6-dimethoxy-2-methylhexanamide.
What is the SMILES notation for (2R)-6-(4-chloro-2-pyridinyl)-N-[1-(difluoromethyl)pyrazol-4-yl]-6,6-dimethoxy-2-methylhexanamide?
The canonical SMILES for (2R)-6-(4-chloro-2-pyridinyl)-N-[1-(difluoromethyl)pyrazol-4-yl]-6,6-dimethoxy-2-methylhexanamide is COC(CCC[C@@H](C)C(=O)Nc1cnn(C(F)F)c1)(OC)c1cc(Cl)ccn1.
What is the InChIKey of (2R)-6-(4-chloro-2-pyridinyl)-N-[1-(difluoromethyl)pyrazol-4-yl]-6,6-dimethoxy-2-methylhexanamide?
The InChIKey is JJUSFIUNAHFAGL-GFCCVEGCSA-N. The full InChI is InChI=1S/C18H23ClF2N4O3/c1-12(16(26)24-14-10-23-25(11-14)17(20)21)5-4-7-18(27-2,28-3)15-9-13(19)6-8-22-15/h6,8-12,17H,4-5,7H2,1-3H3,(H,24,26)/t12-/m1/s1.
What are the key properties of (2R)-6-(4-chloro-2-pyridinyl)-N-[1-(difluoromethyl)pyrazol-4-yl]-6,6-dimethoxy-2-methylhexanamide?
(2R)-6-(4-chloro-2-pyridinyl)-N-[1-(difluoromethyl)pyrazol-4-yl]-6,6-dimethoxy-2-methylhexanamide has a molecular weight of 416.86 g/mol, XLogP of 4.22, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-6-(4-chloro-2-pyridinyl)-N-[1-(difluoromethyl)pyrazol-4-yl]-6,6-dimethoxy-2-methylhexanamide is sourced from PubChem (CID 163255743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).