but-2-ene;4-[[2-(2,5-difluorophenyl)-5-propan-2-yl-4-pyridinyl]amino]-N-propylpyridine-3-carboxamide

C27H32F2N4O — CID 144881563

IUPACbut-2-ene;4-[[2-(2,5-difluorophenyl)-5-propan-2-yl-4-pyridinyl]amino]-N-propylpyridine-3-carboxamide
SMILESCC=CC.CCCNC(=O)c1cnccc1Nc1cc(-c2cc(F)ccc2F)ncc1C(C)C
InChIInChI=1S/C23H24F2N4O.C4H8/c1-4-8-27-23(30)18-12-26-9-7-20(18)29-22-11-21(28-13-17(22)14(2)3)16-10-15(24)5-6-19(16)25;1-3-4-2/h5-7,9-14H,4,8H2,1-3H3,(H,27,30)(H,26,28,29);3-4H,1-2H3
InChIKeyGXKGEHLDHDYLNN-UHFFFAOYSA-N
MW466.58 g/mol
LogP7.01
Rot. Bonds7

About but-2-ene;4-[[2-(2,5-difluorophenyl)-5-propan-2-yl-4-pyridinyl]amino]-N-propylpyridine-3-carboxamide

but-2-ene;4-[[2-(2,5-difluorophenyl)-5-propan-2-yl-4-pyridinyl]amino]-N-propylpyridine-3-carboxamide (PubChem CID 144881563) has the molecular formula C27H32F2N4O and a molecular weight of 466.58 g/mol. Its IUPAC name is but-2-ene;4-[[2-(2,5-difluorophenyl)-5-propan-2-yl-4-pyridinyl]amino]-N-propylpyridine-3-carboxamide.

Molecular Properties

Compound Namebut-2-ene;4-[[2-(2,5-difluorophenyl)-5-propan-2-yl-4-pyridinyl]amino]-N-propylpyridine-3-carboxamide
PubChem CID144881563
Molecular FormulaC27H32F2N4O
Molecular Weight466.58 g/mol
Exact Mass466.25
IUPAC Namebut-2-ene;4-[[2-(2,5-difluorophenyl)-5-propan-2-yl-4-pyridinyl]amino]-N-propylpyridine-3-carboxamide
SMILESCC=CC.CCCNC(=O)c1cnccc1Nc1cc(-c2cc(F)ccc2F)ncc1C(C)C
InChIInChI=1S/C23H24F2N4O.C4H8/c1-4-8-27-23(30)18-12-26-9-7-20(18)29-22-11-21(28-13-17(22)14(2)3)16-10-15(24)5-6-19(16)25;1-3-4-2/h5-7,9-14H,4,8H2,1-3H3,(H,27,30)(H,26,28,29);3-4H,1-2H3
InChIKeyGXKGEHLDHDYLNN-UHFFFAOYSA-N
XLogP7.01
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500466.58
LogP ≤ 57.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze but-2-ene;4-[[2-(2,5-difluorophenyl)-5-propan-2-yl-4-pyridinyl]amino]-N-propylpyridine-3-carboxamide with MolForge

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Launch Full Analysis

Related Compounds

5-aminopentan-2-one;4-[[2-(5-chloro-2-fluorophenyl)-5-propan-2-yl-4-pyridinyl]amino]-N-(4-oxopentyl)pyridine-3-carboxamide;4-[[2-(5-chloro-2-fluorophenyl)-5-propan-2-yl-4-pyridinyl]amino]pyridine-3-carboxylic acid
CID 159179567
methyl 4-[[2-(5-chloro-2-fluorophenyl)-5-propan-2-yl-4-pyridinyl]amino]pyridine-3-carboxylate
CID 118211355
4-[[2-(3-fluoro-2-pyridinyl)-5-propan-2-yl-4-pyridinyl]amino]-N-(2-hydroxypropyl)pyridine-3-carboxamide
CID 118211120
[4-[[2-(5-chloro-2-fluorophenyl)-5-propan-2-yl-4-pyridinyl]amino]-3-pyridinyl]methanol
CID 118211486
4-[[2-(5-chloro-2-fluorophenyl)-5-prop-1-en-2-yl-4-pyridinyl]amino]-N-(2-hydroxypropyl)pyridine-3-carboxamide
CID 118211560
4-[[2-(5-chloro-2-fluorophenyl)-5-prop-1-en-2-yl-4-pyridinyl]amino]-N-(1-hydroxybutan-2-yl)pyridine-3-carboxamide
CID 118211840
2-(5-chloro-2-fluorophenyl)-5-propan-2-yl-N-[3-[(propan-2-yloxyamino)methyl]-4-pyridinyl]pyridin-4-amine
CID 140890170
4-[[6-(5-chloro-2-fluorophenyl)-1H-pyrrolo[2,3-b]pyridin-4-yl]amino]-N-[(2S)-2-hydroxypropyl]pyridine-3-carboxamide
CID 155532120
(E)-3-amino-2-[N'-[2-(5-chloro-2-fluorophenyl)-5-propan-2-yl-4-pyridinyl]carbamimidoyl]-N-propylprop-2-enamide
CID 155016279
4-[[2-(5-chloro-2-fluorophenyl)-5-prop-1-en-2-yl-4-pyridinyl]amino]-N-(oxolan-3-yl)pyridine-3-carboxamide
CID 118211459
methyl 4-[[5-bromo-2-(5-chloro-2-fluorophenyl)-4-pyridinyl]amino]pyridine-3-carboxylate
CID 118211432
4-[[2-(5-chloro-2-fluorophenyl)-5-propan-2-ylpyrimidin-4-yl]amino]-N-(1,3-dihydroxypropan-2-yl)pyridine-3-carboxamide
CID 58770378

Frequently Asked Questions

What is the IUPAC name of but-2-ene;4-[[2-(2,5-difluorophenyl)-5-propan-2-yl-4-pyridinyl]amino]-N-propylpyridine-3-carboxamide?
The IUPAC name of but-2-ene;4-[[2-(2,5-difluorophenyl)-5-propan-2-yl-4-pyridinyl]amino]-N-propylpyridine-3-carboxamide (CID 144881563) is but-2-ene;4-[[2-(2,5-difluorophenyl)-5-propan-2-yl-4-pyridinyl]amino]-N-propylpyridine-3-carboxamide.
What is the SMILES notation for but-2-ene;4-[[2-(2,5-difluorophenyl)-5-propan-2-yl-4-pyridinyl]amino]-N-propylpyridine-3-carboxamide?
The canonical SMILES for but-2-ene;4-[[2-(2,5-difluorophenyl)-5-propan-2-yl-4-pyridinyl]amino]-N-propylpyridine-3-carboxamide is CC=CC.CCCNC(=O)c1cnccc1Nc1cc(-c2cc(F)ccc2F)ncc1C(C)C.
What is the InChIKey of but-2-ene;4-[[2-(2,5-difluorophenyl)-5-propan-2-yl-4-pyridinyl]amino]-N-propylpyridine-3-carboxamide?
The InChIKey is GXKGEHLDHDYLNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24F2N4O.C4H8/c1-4-8-27-23(30)18-12-26-9-7-20(18)29-22-11-21(28-13-17(22)14(2)3)16-10-15(24)5-6-19(16)25;1-3-4-2/h5-7,9-14H,4,8H2,1-3H3,(H,27,30)(H,26,28,29);3-4H,1-2H3.
What are the key properties of but-2-ene;4-[[2-(2,5-difluorophenyl)-5-propan-2-yl-4-pyridinyl]amino]-N-propylpyridine-3-carboxamide?
but-2-ene;4-[[2-(2,5-difluorophenyl)-5-propan-2-yl-4-pyridinyl]amino]-N-propylpyridine-3-carboxamide has a molecular weight of 466.58 g/mol, XLogP of 7.01, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for but-2-ene;4-[[2-(2,5-difluorophenyl)-5-propan-2-yl-4-pyridinyl]amino]-N-propylpyridine-3-carboxamide is sourced from PubChem (CID 144881563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).