N-[1-[5-cyclopropyl-6-(2,2-difluoroethoxy)-3-pyridinyl]ethyl]-2-(2-cyclopropyl-2-oxoethyl)-6-methylpyridine-4-carboxamide

C24H27F2N3O3 — CID 160650690

IUPACN-[1-[5-cyclopropyl-6-(2,2-difluoroethoxy)-3-pyridinyl]ethyl]-2-(2-cyclopropyl-2-oxoethyl)-6-methylpyridine-4-carboxamide
SMILESCc1cc(C(=O)NC(C)c2cnc(OCC(F)F)c(C3CC3)c2)cc(CC(=O)C2CC2)n1
InChIInChI=1S/C24H27F2N3O3/c1-13-7-17(8-19(28-13)10-21(30)16-5-6-16)23(31)29-14(2)18-9-20(15-3-4-15)24(27-11-18)32-12-22(25)26/h7-9,11,14-16,22H,3-6,10,12H2,1-2H3,(H,29,31)
InChIKeyRKJJGYVGHPKYKP-UHFFFAOYSA-N
MW443.49 g/mol
LogP4.32
Rot. Bonds10

About N-[1-[5-cyclopropyl-6-(2,2-difluoroethoxy)-3-pyridinyl]ethyl]-2-(2-cyclopropyl-2-oxoethyl)-6-methylpyridine-4-carboxamide

N-[1-[5-cyclopropyl-6-(2,2-difluoroethoxy)-3-pyridinyl]ethyl]-2-(2-cyclopropyl-2-oxoethyl)-6-methylpyridine-4-carboxamide (PubChem CID 160650690) has the molecular formula C24H27F2N3O3 and a molecular weight of 443.49 g/mol. Its IUPAC name is N-[1-[5-cyclopropyl-6-(2,2-difluoroethoxy)-3-pyridinyl]ethyl]-2-(2-cyclopropyl-2-oxoethyl)-6-methylpyridine-4-carboxamide.

Molecular Properties

Compound NameN-[1-[5-cyclopropyl-6-(2,2-difluoroethoxy)-3-pyridinyl]ethyl]-2-(2-cyclopropyl-2-oxoethyl)-6-methylpyridine-4-carboxamide
PubChem CID160650690
Molecular FormulaC24H27F2N3O3
Molecular Weight443.49 g/mol
Exact Mass443.20
IUPAC NameN-[1-[5-cyclopropyl-6-(2,2-difluoroethoxy)-3-pyridinyl]ethyl]-2-(2-cyclopropyl-2-oxoethyl)-6-methylpyridine-4-carboxamide
SMILESCc1cc(C(=O)NC(C)c2cnc(OCC(F)F)c(C3CC3)c2)cc(CC(=O)C2CC2)n1
InChIInChI=1S/C24H27F2N3O3/c1-13-7-17(8-19(28-13)10-21(30)16-5-6-16)23(31)29-14(2)18-9-20(15-3-4-15)24(27-11-18)32-12-22(25)26/h7-9,11,14-16,22H,3-6,10,12H2,1-2H3,(H,29,31)
InChIKeyRKJJGYVGHPKYKP-UHFFFAOYSA-N
XLogP4.32
TPSA81.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.49
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[1-[5-cyclopropyl-6-(2,2-difluoroethoxy)-3-pyridinyl]ethyl]-2-(2-cyclopropyl-2-oxoethyl)-6-methylpyridine-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[1-[5-cyclopropyl-6-(2,2-difluoroethoxy)-3-pyridinyl]ethyl]-2-(2-cyclopropyl-2-oxoethyl)-6-methylpyridine-4-carboxamide?
The IUPAC name of N-[1-[5-cyclopropyl-6-(2,2-difluoroethoxy)-3-pyridinyl]ethyl]-2-(2-cyclopropyl-2-oxoethyl)-6-methylpyridine-4-carboxamide (CID 160650690) is N-[1-[5-cyclopropyl-6-(2,2-difluoroethoxy)-3-pyridinyl]ethyl]-2-(2-cyclopropyl-2-oxoethyl)-6-methylpyridine-4-carboxamide.
What is the SMILES notation for N-[1-[5-cyclopropyl-6-(2,2-difluoroethoxy)-3-pyridinyl]ethyl]-2-(2-cyclopropyl-2-oxoethyl)-6-methylpyridine-4-carboxamide?
The canonical SMILES for N-[1-[5-cyclopropyl-6-(2,2-difluoroethoxy)-3-pyridinyl]ethyl]-2-(2-cyclopropyl-2-oxoethyl)-6-methylpyridine-4-carboxamide is Cc1cc(C(=O)NC(C)c2cnc(OCC(F)F)c(C3CC3)c2)cc(CC(=O)C2CC2)n1.
What is the InChIKey of N-[1-[5-cyclopropyl-6-(2,2-difluoroethoxy)-3-pyridinyl]ethyl]-2-(2-cyclopropyl-2-oxoethyl)-6-methylpyridine-4-carboxamide?
The InChIKey is RKJJGYVGHPKYKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27F2N3O3/c1-13-7-17(8-19(28-13)10-21(30)16-5-6-16)23(31)29-14(2)18-9-20(15-3-4-15)24(27-11-18)32-12-22(25)26/h7-9,11,14-16,22H,3-6,10,12H2,1-2H3,(H,29,31).
What are the key properties of N-[1-[5-cyclopropyl-6-(2,2-difluoroethoxy)-3-pyridinyl]ethyl]-2-(2-cyclopropyl-2-oxoethyl)-6-methylpyridine-4-carboxamide?
N-[1-[5-cyclopropyl-6-(2,2-difluoroethoxy)-3-pyridinyl]ethyl]-2-(2-cyclopropyl-2-oxoethyl)-6-methylpyridine-4-carboxamide has a molecular weight of 443.49 g/mol, XLogP of 4.32, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[5-cyclopropyl-6-(2,2-difluoroethoxy)-3-pyridinyl]ethyl]-2-(2-cyclopropyl-2-oxoethyl)-6-methylpyridine-4-carboxamide is sourced from PubChem (CID 160650690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).