N-[1-[6-(2,2-difluoropropoxy)-5-fluoro-3-pyridinyl]ethyl]-2-methyl-6-(propanoylamino)pyridine-4-carboxamide

C20H23F3N4O3 — CID 162565983

IUPACN-[1-[6-(2,2-difluoropropoxy)-5-fluoro-3-pyridinyl]ethyl]-2-methyl-6-(propanoylamino)pyridine-4-carboxamide
SMILESCCC(=O)Nc1cc(C(=O)NC(C)c2cnc(OCC(C)(F)F)c(F)c2)cc(C)n1
InChIInChI=1S/C20H23F3N4O3/c1-5-17(28)27-16-8-13(6-11(2)25-16)18(29)26-12(3)14-7-15(21)19(24-9-14)30-10-20(4,22)23/h6-9,12H,5,10H2,1-4H3,(H,26,29)(H,25,27,28)
InChIKeyOQRHOKCFOKTCIO-UHFFFAOYSA-N
MW424.42 g/mol
LogP3.80
Rot. Bonds8

About N-[1-[6-(2,2-difluoropropoxy)-5-fluoro-3-pyridinyl]ethyl]-2-methyl-6-(propanoylamino)pyridine-4-carboxamide

N-[1-[6-(2,2-difluoropropoxy)-5-fluoro-3-pyridinyl]ethyl]-2-methyl-6-(propanoylamino)pyridine-4-carboxamide (PubChem CID 162565983) has the molecular formula C20H23F3N4O3 and a molecular weight of 424.42 g/mol. Its IUPAC name is N-[1-[6-(2,2-difluoropropoxy)-5-fluoro-3-pyridinyl]ethyl]-2-methyl-6-(propanoylamino)pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[1-[6-(2,2-difluoropropoxy)-5-fluoro-3-pyridinyl]ethyl]-2-methyl-6-(propanoylamino)pyridine-4-carboxamide
PubChem CID162565983
Molecular FormulaC20H23F3N4O3
Molecular Weight424.42 g/mol
Exact Mass424.17
IUPAC NameN-[1-[6-(2,2-difluoropropoxy)-5-fluoro-3-pyridinyl]ethyl]-2-methyl-6-(propanoylamino)pyridine-4-carboxamide
SMILESCCC(=O)Nc1cc(C(=O)NC(C)c2cnc(OCC(C)(F)F)c(F)c2)cc(C)n1
InChIInChI=1S/C20H23F3N4O3/c1-5-17(28)27-16-8-13(6-11(2)25-16)18(29)26-12(3)14-7-15(21)19(24-9-14)30-10-20(4,22)23/h6-9,12H,5,10H2,1-4H3,(H,26,29)(H,25,27,28)
InChIKeyOQRHOKCFOKTCIO-UHFFFAOYSA-N
XLogP3.80
TPSA93.21 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.42
LogP ≤ 53.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[1-[6-(2,2-difluoropropoxy)-5-fluoro-3-pyridinyl]ethyl]-2-methyl-6-(propanoylamino)pyridine-4-carboxamide with MolForge

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Launch Full Analysis

Related Compounds

2-methyl-N-[1-[5-methyl-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]ethyl]-6-(propanoylamino)pyridine-4-carboxamide
CID 67508940
N-[1-[6-(2,2-difluoropropoxy)-3-pyridinyl]ethyl]-2-methyl-6-(propanoylamino)pyridine-4-carboxamide
CID 67509480
N-[(1R)-1-[5-(2,2-difluoropropoxy)-2-pyridinyl]ethyl]-2-methyl-6-(propanoylamino)pyridine-4-carboxamide
CID 162565999
2-methyl-6-(propanoylamino)-N-[1-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]ethyl]pyridine-4-carboxamide
CID 67508904
N-[1-[5-fluoro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]ethyl]-2-methyl-6-(2-oxopropyl)pyridine-4-carboxamide
CID 161085351
N-[1-[5-chloro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]ethyl]-2-(cyclopropanecarbonylamino)-6-methylpyridine-4-carboxamide
CID 67510855
N-[1-[6-(2,2-difluoroethoxy)-5-ethyl-3-pyridinyl]ethyl]-2-methyl-6-(2-methylpropanoylamino)pyridine-4-carboxamide
CID 87426798
N-[1-[5-chloro-6-(2,2-difluoroethoxy)-3-pyridinyl]ethyl]-2-[(2-hydroxy-2-methylpropanoyl)amino]-6-methylpyridine-4-carboxamide
CID 162566089
2-acetamido-6-methyl-N-[1-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]ethyl]pyridine-4-carboxamide
CID 67511304
2-acetamido-6-methyl-N-[1-[6-(2,2,3,3,3-pentafluoropropoxy)-3-pyridinyl]ethyl]pyridine-4-carboxamide
CID 87427220
N-[1-[6-(2,2-difluoro-3-methylbut-3-enoxy)-5-methoxy-3-pyridinyl]ethyl]-6-methyl-2-(propanoylamino)pyrimidine-4-carboxamide
CID 162566020
N-[[5-ethyl-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]-2-methyl-6-(propanoylamino)pyridine-4-carboxamide
CID 67510976

Frequently Asked Questions

What is the IUPAC name of N-[1-[6-(2,2-difluoropropoxy)-5-fluoro-3-pyridinyl]ethyl]-2-methyl-6-(propanoylamino)pyridine-4-carboxamide?
The IUPAC name of N-[1-[6-(2,2-difluoropropoxy)-5-fluoro-3-pyridinyl]ethyl]-2-methyl-6-(propanoylamino)pyridine-4-carboxamide (CID 162565983) is N-[1-[6-(2,2-difluoropropoxy)-5-fluoro-3-pyridinyl]ethyl]-2-methyl-6-(propanoylamino)pyridine-4-carboxamide.
What is the SMILES notation for N-[1-[6-(2,2-difluoropropoxy)-5-fluoro-3-pyridinyl]ethyl]-2-methyl-6-(propanoylamino)pyridine-4-carboxamide?
The canonical SMILES for N-[1-[6-(2,2-difluoropropoxy)-5-fluoro-3-pyridinyl]ethyl]-2-methyl-6-(propanoylamino)pyridine-4-carboxamide is CCC(=O)Nc1cc(C(=O)NC(C)c2cnc(OCC(C)(F)F)c(F)c2)cc(C)n1.
What is the InChIKey of N-[1-[6-(2,2-difluoropropoxy)-5-fluoro-3-pyridinyl]ethyl]-2-methyl-6-(propanoylamino)pyridine-4-carboxamide?
The InChIKey is OQRHOKCFOKTCIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23F3N4O3/c1-5-17(28)27-16-8-13(6-11(2)25-16)18(29)26-12(3)14-7-15(21)19(24-9-14)30-10-20(4,22)23/h6-9,12H,5,10H2,1-4H3,(H,26,29)(H,25,27,28).
What are the key properties of N-[1-[6-(2,2-difluoropropoxy)-5-fluoro-3-pyridinyl]ethyl]-2-methyl-6-(propanoylamino)pyridine-4-carboxamide?
N-[1-[6-(2,2-difluoropropoxy)-5-fluoro-3-pyridinyl]ethyl]-2-methyl-6-(propanoylamino)pyridine-4-carboxamide has a molecular weight of 424.42 g/mol, XLogP of 3.80, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[6-(2,2-difluoropropoxy)-5-fluoro-3-pyridinyl]ethyl]-2-methyl-6-(propanoylamino)pyridine-4-carboxamide is sourced from PubChem (CID 162565983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).