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

C17H16F5N3O2 — CID 157284679

IUPAC2-methyl-N-[1-[6-(2,2,3,3,3-pentafluoropropoxy)-3-pyridinyl]ethyl]pyridine-4-carboxamide
SMILESCc1cc(C(=O)NC(C)c2ccc(OCC(F)(F)C(F)(F)F)nc2)ccn1
InChIInChI=1S/C17H16F5N3O2/c1-10-7-12(5-6-23-10)15(26)25-11(2)13-3-4-14(24-8-13)27-9-16(18,19)17(20,21)22/h3-8,11H,9H2,1-2H3,(H,25,26)
InChIKeyDSGVZUSVXLCSTA-UHFFFAOYSA-N
MW389.32 g/mol
LogP3.85
Rot. Bonds6

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

2-methyl-N-[1-[6-(2,2,3,3,3-pentafluoropropoxy)-3-pyridinyl]ethyl]pyridine-4-carboxamide (PubChem CID 157284679) has the molecular formula C17H16F5N3O2 and a molecular weight of 389.32 g/mol. Its IUPAC name is 2-methyl-N-[1-[6-(2,2,3,3,3-pentafluoropropoxy)-3-pyridinyl]ethyl]pyridine-4-carboxamide.

Molecular Properties

Compound Name2-methyl-N-[1-[6-(2,2,3,3,3-pentafluoropropoxy)-3-pyridinyl]ethyl]pyridine-4-carboxamide
PubChem CID157284679
Molecular FormulaC17H16F5N3O2
Molecular Weight389.32 g/mol
Exact Mass389.12
IUPAC Name2-methyl-N-[1-[6-(2,2,3,3,3-pentafluoropropoxy)-3-pyridinyl]ethyl]pyridine-4-carboxamide
SMILESCc1cc(C(=O)NC(C)c2ccc(OCC(F)(F)C(F)(F)F)nc2)ccn1
InChIInChI=1S/C17H16F5N3O2/c1-10-7-12(5-6-23-10)15(26)25-11(2)13-3-4-14(24-8-13)27-9-16(18,19)17(20,21)22/h3-8,11H,9H2,1-2H3,(H,25,26)
InChIKeyDSGVZUSVXLCSTA-UHFFFAOYSA-N
XLogP3.85
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.32
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Launch Full Analysis

Related Compounds

tert-butylazanium;2-methyl-N-[1-[6-(2,2,3,3,3-pentafluoropropoxy)-3-pyridinyl]ethyl]pyridine-4-carboxamide
CID 157284678
N-[1-[6-(2,2-difluoropropoxy)-3-pyridinyl]ethyl]-2-methylpyridine-4-carboxamide
CID 174687500
2-(2-methylpropanoylamino)-N-[1-[6-(2,2,3,3,3-pentafluoropropoxy)-3-pyridinyl]ethyl]pyridine-4-carboxamide
CID 87427280
2-acetamido-6-methyl-N-[1-[6-(2,2,3,3,3-pentafluoropropoxy)-3-pyridinyl]ethyl]pyridine-4-carboxamide
CID 87427220
2-bromo-6-methyl-N-[1-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]ethyl]pyridine-4-carboxamide
CID 87426946
2-acetamido-6-methyl-N-[1-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]ethyl]pyridine-4-carboxamide
CID 67511304
2-(2-cyclopropyl-2-oxoethyl)-N-[1-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]ethyl]pyridine-4-carboxamide
CID 149045512
2-(cyclopropanecarbonylamino)-N-[1-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]ethyl]pyridine-4-carboxamide
CID 67511192
2-(2-oxopentyl)-N-[1-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]ethyl]pyridine-4-carboxamide
CID 158848716
2-methyl-6-(propanoylamino)-N-[1-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]ethyl]pyridine-4-carboxamide
CID 67508904
N-[1-[6-(2,2-difluoropropoxy)-3-pyridinyl]ethyl]-2-methyl-6-(propanoylamino)pyridine-4-carboxamide
CID 67509480
2-(3-methyl-2-oxobutyl)-N-[1-[6-(3,3,3-trifluoropropoxy)-3-pyridinyl]ethyl]pyridine-4-carboxamide
CID 161116148

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[1-[6-(2,2,3,3,3-pentafluoropropoxy)-3-pyridinyl]ethyl]pyridine-4-carboxamide?
The IUPAC name of 2-methyl-N-[1-[6-(2,2,3,3,3-pentafluoropropoxy)-3-pyridinyl]ethyl]pyridine-4-carboxamide (CID 157284679) is 2-methyl-N-[1-[6-(2,2,3,3,3-pentafluoropropoxy)-3-pyridinyl]ethyl]pyridine-4-carboxamide.
What is the SMILES notation for 2-methyl-N-[1-[6-(2,2,3,3,3-pentafluoropropoxy)-3-pyridinyl]ethyl]pyridine-4-carboxamide?
The canonical SMILES for 2-methyl-N-[1-[6-(2,2,3,3,3-pentafluoropropoxy)-3-pyridinyl]ethyl]pyridine-4-carboxamide is Cc1cc(C(=O)NC(C)c2ccc(OCC(F)(F)C(F)(F)F)nc2)ccn1.
What is the InChIKey of 2-methyl-N-[1-[6-(2,2,3,3,3-pentafluoropropoxy)-3-pyridinyl]ethyl]pyridine-4-carboxamide?
The InChIKey is DSGVZUSVXLCSTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16F5N3O2/c1-10-7-12(5-6-23-10)15(26)25-11(2)13-3-4-14(24-8-13)27-9-16(18,19)17(20,21)22/h3-8,11H,9H2,1-2H3,(H,25,26).
What are the key properties of 2-methyl-N-[1-[6-(2,2,3,3,3-pentafluoropropoxy)-3-pyridinyl]ethyl]pyridine-4-carboxamide?
2-methyl-N-[1-[6-(2,2,3,3,3-pentafluoropropoxy)-3-pyridinyl]ethyl]pyridine-4-carboxamide has a molecular weight of 389.32 g/mol, XLogP of 3.85, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[1-[6-(2,2,3,3,3-pentafluoropropoxy)-3-pyridinyl]ethyl]pyridine-4-carboxamide is sourced from PubChem (CID 157284679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).