2-methylpropan-2-amine;N-[1-[5-methyl-6-(2,2,3,3-tetrafluoropropoxy)-3-pyridinyl]ethyl]pyridine-4-carboxamide

C21H28F4N4O2 — CID 162621501

IUPAC2-methylpropan-2-amine;N-[1-[5-methyl-6-(2,2,3,3-tetrafluoropropoxy)-3-pyridinyl]ethyl]pyridine-4-carboxamide
SMILESCC(C)(C)N.Cc1cc(C(C)NC(=O)c2ccncc2)cnc1OCC(F)(F)C(F)F
InChIInChI=1S/C17H17F4N3O2.C4H11N/c1-10-7-13(8-23-15(10)26-9-17(20,21)16(18)19)11(2)24-14(25)12-3-5-22-6-4-12;1-4(2,3)5/h3-8,11,16H,9H2,1-2H3,(H,24,25);5H2,1-3H3
InChIKeyTWVGSQKDBZXDKB-UHFFFAOYSA-N
MW444.47 g/mol
LogP4.30
Rot. Bonds7

About 2-methylpropan-2-amine;N-[1-[5-methyl-6-(2,2,3,3-tetrafluoropropoxy)-3-pyridinyl]ethyl]pyridine-4-carboxamide

2-methylpropan-2-amine;N-[1-[5-methyl-6-(2,2,3,3-tetrafluoropropoxy)-3-pyridinyl]ethyl]pyridine-4-carboxamide (PubChem CID 162621501) has the molecular formula C21H28F4N4O2 and a molecular weight of 444.47 g/mol. Its IUPAC name is 2-methylpropan-2-amine;N-[1-[5-methyl-6-(2,2,3,3-tetrafluoropropoxy)-3-pyridinyl]ethyl]pyridine-4-carboxamide.

Molecular Properties

Compound Name2-methylpropan-2-amine;N-[1-[5-methyl-6-(2,2,3,3-tetrafluoropropoxy)-3-pyridinyl]ethyl]pyridine-4-carboxamide
PubChem CID162621501
Molecular FormulaC21H28F4N4O2
Molecular Weight444.47 g/mol
Exact Mass444.21
IUPAC Name2-methylpropan-2-amine;N-[1-[5-methyl-6-(2,2,3,3-tetrafluoropropoxy)-3-pyridinyl]ethyl]pyridine-4-carboxamide
SMILESCC(C)(C)N.Cc1cc(C(C)NC(=O)c2ccncc2)cnc1OCC(F)(F)C(F)F
InChIInChI=1S/C17H17F4N3O2.C4H11N/c1-10-7-13(8-23-15(10)26-9-17(20,21)16(18)19)11(2)24-14(25)12-3-5-22-6-4-12;1-4(2,3)5/h3-8,11,16H,9H2,1-2H3,(H,24,25);5H2,1-3H3
InChIKeyTWVGSQKDBZXDKB-UHFFFAOYSA-N
XLogP4.30
TPSA90.13 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.47
LogP ≤ 54.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2-methylpropan-2-amine;N-[1-[5-methyl-6-(2,2,3,3-tetrafluoropropoxy)-3-pyridinyl]ethyl]pyridine-4-carboxamide with MolForge

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Related Compounds

2-methyl-N-[1-[5-methyl-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]ethyl]-6-(propanoylamino)pyridine-4-carboxamide
CID 67508940
2-chloro-6-(hydroxymethyl)-N-[1-[5-methyl-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]ethyl]pyridine-4-carboxamide
CID 87427459
1-[6-(2,2-difluoroethoxy)-5-methyl-3-pyridinyl]ethylcarbamic acid
CID 87427111
N-[1-[3-chloro-4-(2,2-difluoroethoxy)-5-methylphenyl]ethyl]pyridine-4-carboxamide
CID 172812105
2-[1-[5-methyl-6-(2,2,3,3-tetrafluoropropoxy)-3-pyridinyl]ethyl]-1-oxo-3H-pyrrolo[3,4-c]pyridine-4-carboxylic acid
CID 130384949
methyl 2-[6-chloro-4-[1-[5-methyl-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]ethylcarbamoyl]-2-pyridinyl]acetate
CID 141458166
[2-methyl-4-[5-methyl-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]pentan-2-yl] carbamate
CID 174836579
2-(2-methylpropanoylamino)-N-[[5-methyl-6-(2,2,3,3-tetrafluoropropoxy)-3-pyridinyl]methyl]pyridine-4-carboxamide
CID 87426299
N-[1-[5-methyl-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]ethyl]-1H-benzimidazole-4-carboxamide
CID 67509380
N-[1-(4-tert-butylphenyl)ethyl]pyridine-4-carboxamide
CID 17173747
N-[(1S)-1-(4-tert-butylphenyl)ethyl]pyridine-4-carboxamide
CID 42563511
2-acetamido-N-[1-[5-methoxy-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]ethyl]pyridine-4-carboxamide
CID 67509804

Frequently Asked Questions

What is the IUPAC name of 2-methylpropan-2-amine;N-[1-[5-methyl-6-(2,2,3,3-tetrafluoropropoxy)-3-pyridinyl]ethyl]pyridine-4-carboxamide?
The IUPAC name of 2-methylpropan-2-amine;N-[1-[5-methyl-6-(2,2,3,3-tetrafluoropropoxy)-3-pyridinyl]ethyl]pyridine-4-carboxamide (CID 162621501) is 2-methylpropan-2-amine;N-[1-[5-methyl-6-(2,2,3,3-tetrafluoropropoxy)-3-pyridinyl]ethyl]pyridine-4-carboxamide.
What is the SMILES notation for 2-methylpropan-2-amine;N-[1-[5-methyl-6-(2,2,3,3-tetrafluoropropoxy)-3-pyridinyl]ethyl]pyridine-4-carboxamide?
The canonical SMILES for 2-methylpropan-2-amine;N-[1-[5-methyl-6-(2,2,3,3-tetrafluoropropoxy)-3-pyridinyl]ethyl]pyridine-4-carboxamide is CC(C)(C)N.Cc1cc(C(C)NC(=O)c2ccncc2)cnc1OCC(F)(F)C(F)F.
What is the InChIKey of 2-methylpropan-2-amine;N-[1-[5-methyl-6-(2,2,3,3-tetrafluoropropoxy)-3-pyridinyl]ethyl]pyridine-4-carboxamide?
The InChIKey is TWVGSQKDBZXDKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17F4N3O2.C4H11N/c1-10-7-13(8-23-15(10)26-9-17(20,21)16(18)19)11(2)24-14(25)12-3-5-22-6-4-12;1-4(2,3)5/h3-8,11,16H,9H2,1-2H3,(H,24,25);5H2,1-3H3.
What are the key properties of 2-methylpropan-2-amine;N-[1-[5-methyl-6-(2,2,3,3-tetrafluoropropoxy)-3-pyridinyl]ethyl]pyridine-4-carboxamide?
2-methylpropan-2-amine;N-[1-[5-methyl-6-(2,2,3,3-tetrafluoropropoxy)-3-pyridinyl]ethyl]pyridine-4-carboxamide has a molecular weight of 444.47 g/mol, XLogP of 4.30, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylpropan-2-amine;N-[1-[5-methyl-6-(2,2,3,3-tetrafluoropropoxy)-3-pyridinyl]ethyl]pyridine-4-carboxamide is sourced from PubChem (CID 162621501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).