N-[1-[6-(2,2-difluoroethoxy)-5-ethyl-3-pyridinyl]ethyl]-2-methyl-6-(2-methylpropanoylamino)pyridine-4-carboxamide

C22H28F2N4O3 — CID 87426798

IUPACN-[1-[6-(2,2-difluoroethoxy)-5-ethyl-3-pyridinyl]ethyl]-2-methyl-6-(2-methylpropanoylamino)pyridine-4-carboxamide
SMILESCCc1cc(C(C)NC(=O)c2cc(C)nc(NC(=O)C(C)C)c2)cnc1OCC(F)F
InChIInChI=1S/C22H28F2N4O3/c1-6-15-8-17(10-25-22(15)31-11-18(23)24)14(5)27-21(30)16-7-13(4)26-19(9-16)28-20(29)12(2)3/h7-10,12,14,18H,6,11H2,1-5H3,(H,27,30)(H,26,28,29)
InChIKeyWGVRIJWLAHJIPB-UHFFFAOYSA-N
MW434.49 g/mol
LogP4.08
Rot. Bonds9

About N-[1-[6-(2,2-difluoroethoxy)-5-ethyl-3-pyridinyl]ethyl]-2-methyl-6-(2-methylpropanoylamino)pyridine-4-carboxamide

N-[1-[6-(2,2-difluoroethoxy)-5-ethyl-3-pyridinyl]ethyl]-2-methyl-6-(2-methylpropanoylamino)pyridine-4-carboxamide (PubChem CID 87426798) has the molecular formula C22H28F2N4O3 and a molecular weight of 434.49 g/mol. Its IUPAC name is N-[1-[6-(2,2-difluoroethoxy)-5-ethyl-3-pyridinyl]ethyl]-2-methyl-6-(2-methylpropanoylamino)pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[1-[6-(2,2-difluoroethoxy)-5-ethyl-3-pyridinyl]ethyl]-2-methyl-6-(2-methylpropanoylamino)pyridine-4-carboxamide
PubChem CID87426798
Molecular FormulaC22H28F2N4O3
Molecular Weight434.49 g/mol
Exact Mass434.21
IUPAC NameN-[1-[6-(2,2-difluoroethoxy)-5-ethyl-3-pyridinyl]ethyl]-2-methyl-6-(2-methylpropanoylamino)pyridine-4-carboxamide
SMILESCCc1cc(C(C)NC(=O)c2cc(C)nc(NC(=O)C(C)C)c2)cnc1OCC(F)F
InChIInChI=1S/C22H28F2N4O3/c1-6-15-8-17(10-25-22(15)31-11-18(23)24)14(5)27-21(30)16-7-13(4)26-19(9-16)28-20(29)12(2)3/h7-10,12,14,18H,6,11H2,1-5H3,(H,27,30)(H,26,28,29)
InChIKeyWGVRIJWLAHJIPB-UHFFFAOYSA-N
XLogP4.08
TPSA93.21 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.49
LogP ≤ 54.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-[5-cyclopropyl-6-(2,2-difluoroethoxy)-3-pyridinyl]ethyl]-2-methyl-6-(2-methylpropanoylamino)pyridine-4-carboxamide
CID 87426669
N-[1-[5-chloro-6-(2,2-difluoroethoxy)-3-pyridinyl]ethyl]-2-[(2-hydroxy-2-methylpropanoyl)amino]-6-methylpyridine-4-carboxamide
CID 162566089
N-[1-[5-chloro-6-(2,2-difluoroethoxy)-3-pyridinyl]ethyl]-2-[(2-cyclopropylacetyl)amino]-6-methylpyridine-4-carboxamide
CID 87426752
N-[1-[5-chloro-6-(2,2-difluoroethoxy)-3-pyridinyl]ethyl]-2-(2-methylpropanoylamino)pyridine-4-carboxamide
CID 87426753
N-[1-[6-(2,2-difluoroethoxy)-5-methyl-3-pyridinyl]ethyl]-2-methyl-6-(3-methyl-2-oxobutyl)pyridine-4-carboxamide
CID 158102449
N-[1-[6-(2,2-difluoroethoxy)-5-methoxy-3-pyridinyl]ethyl]-2-methyl-6-(3-methyl-2-oxobutyl)pyridine-4-carboxamide
CID 159797383
2-methyl-N-[1-[5-methyl-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]ethyl]-6-(propanoylamino)pyridine-4-carboxamide
CID 67508940
2-(2-cyclopropyl-2-oxoethyl)-N-[1-[6-(2,2-difluoroethoxy)-5-methyl-3-pyridinyl]ethyl]-6-methylpyridine-4-carboxamide
CID 148558699
2-methyl-6-(2-methylpropanoylamino)-N-[1-[3-(2,2,2-trifluoroethoxy)phenyl]ethyl]pyridine-4-carboxamide
CID 67508998
N-[1-[6-(2,2-difluoropropoxy)-5-fluoro-3-pyridinyl]ethyl]-2-methyl-6-(propanoylamino)pyridine-4-carboxamide
CID 162565983
N-[1-[5-cyclopropyl-6-(2,2-difluoroethoxy)-3-pyridinyl]ethyl]-2-(2-cyclopropyl-2-oxoethyl)-6-methylpyridine-4-carboxamide
CID 160650690
N-[[6-(2,2-difluoroethoxy)-2-methyl-3-pyridinyl]methyl]-2-methyl-6-(2-methylpropanoylamino)pyridine-4-carboxamide
CID 87427034

Frequently Asked Questions

What is the IUPAC name of N-[1-[6-(2,2-difluoroethoxy)-5-ethyl-3-pyridinyl]ethyl]-2-methyl-6-(2-methylpropanoylamino)pyridine-4-carboxamide?
The IUPAC name of N-[1-[6-(2,2-difluoroethoxy)-5-ethyl-3-pyridinyl]ethyl]-2-methyl-6-(2-methylpropanoylamino)pyridine-4-carboxamide (CID 87426798) is N-[1-[6-(2,2-difluoroethoxy)-5-ethyl-3-pyridinyl]ethyl]-2-methyl-6-(2-methylpropanoylamino)pyridine-4-carboxamide.
What is the SMILES notation for N-[1-[6-(2,2-difluoroethoxy)-5-ethyl-3-pyridinyl]ethyl]-2-methyl-6-(2-methylpropanoylamino)pyridine-4-carboxamide?
The canonical SMILES for N-[1-[6-(2,2-difluoroethoxy)-5-ethyl-3-pyridinyl]ethyl]-2-methyl-6-(2-methylpropanoylamino)pyridine-4-carboxamide is CCc1cc(C(C)NC(=O)c2cc(C)nc(NC(=O)C(C)C)c2)cnc1OCC(F)F.
What is the InChIKey of N-[1-[6-(2,2-difluoroethoxy)-5-ethyl-3-pyridinyl]ethyl]-2-methyl-6-(2-methylpropanoylamino)pyridine-4-carboxamide?
The InChIKey is WGVRIJWLAHJIPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28F2N4O3/c1-6-15-8-17(10-25-22(15)31-11-18(23)24)14(5)27-21(30)16-7-13(4)26-19(9-16)28-20(29)12(2)3/h7-10,12,14,18H,6,11H2,1-5H3,(H,27,30)(H,26,28,29).
What are the key properties of N-[1-[6-(2,2-difluoroethoxy)-5-ethyl-3-pyridinyl]ethyl]-2-methyl-6-(2-methylpropanoylamino)pyridine-4-carboxamide?
N-[1-[6-(2,2-difluoroethoxy)-5-ethyl-3-pyridinyl]ethyl]-2-methyl-6-(2-methylpropanoylamino)pyridine-4-carboxamide has a molecular weight of 434.49 g/mol, XLogP of 4.08, 9 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-difluoroethoxy)-5-ethyl-3-pyridinyl]ethyl]-2-methyl-6-(2-methylpropanoylamino)pyridine-4-carboxamide is sourced from PubChem (CID 87426798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).