5-[2-(butanoylamino)-5-propan-2-yl-3-pyridinyl]-N-[(1S)-1-(4-fluorophenyl)ethyl]pent-4-ynamide

C25H30FN3O2 — CID 145133079

IUPAC5-[2-(butanoylamino)-5-propan-2-yl-3-pyridinyl]-N-[(1S)-1-(4-fluorophenyl)ethyl]pent-4-ynamide
SMILESCCCC(=O)Nc1ncc(C(C)C)cc1C#CCCC(=O)N[C@@H](C)c1ccc(F)cc1
InChIInChI=1S/C25H30FN3O2/c1-5-8-23(30)29-25-20(15-21(16-27-25)17(2)3)9-6-7-10-24(31)28-18(4)19-11-13-22(26)14-12-19/h11-18H,5,7-8,10H2,1-4H3,(H,28,31)(H,27,29,30)/t18-/m0/s1
InChIKeySRSMUTIRGSFNAB-SFHVURJKSA-N
MW423.53 g/mol
LogP5.09
Rot. Bonds8

About 5-[2-(butanoylamino)-5-propan-2-yl-3-pyridinyl]-N-[(1S)-1-(4-fluorophenyl)ethyl]pent-4-ynamide

5-[2-(butanoylamino)-5-propan-2-yl-3-pyridinyl]-N-[(1S)-1-(4-fluorophenyl)ethyl]pent-4-ynamide (PubChem CID 145133079) has the molecular formula C25H30FN3O2 and a molecular weight of 423.53 g/mol. Its IUPAC name is 5-[2-(butanoylamino)-5-propan-2-yl-3-pyridinyl]-N-[(1S)-1-(4-fluorophenyl)ethyl]pent-4-ynamide.

Molecular Properties

Compound Name5-[2-(butanoylamino)-5-propan-2-yl-3-pyridinyl]-N-[(1S)-1-(4-fluorophenyl)ethyl]pent-4-ynamide
PubChem CID145133079
Molecular FormulaC25H30FN3O2
Molecular Weight423.53 g/mol
Exact Mass423.23
IUPAC Name5-[2-(butanoylamino)-5-propan-2-yl-3-pyridinyl]-N-[(1S)-1-(4-fluorophenyl)ethyl]pent-4-ynamide
SMILESCCCC(=O)Nc1ncc(C(C)C)cc1C#CCCC(=O)N[C@@H](C)c1ccc(F)cc1
InChIInChI=1S/C25H30FN3O2/c1-5-8-23(30)29-25-20(15-21(16-27-25)17(2)3)9-6-7-10-24(31)28-18(4)19-11-13-22(26)14-12-19/h11-18H,5,7-8,10H2,1-4H3,(H,28,31)(H,27,29,30)/t18-/m0/s1
InChIKeySRSMUTIRGSFNAB-SFHVURJKSA-N
XLogP5.09
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500423.53
LogP ≤ 55.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 5-[2-(butanoylamino)-5-propan-2-yl-3-pyridinyl]-N-[(1S)-1-(4-fluorophenyl)ethyl]pent-4-ynamide with MolForge

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

Launch Full Analysis

Related Compounds

N-(5-methylpyridin-2-yl)-2,2-diphenylacetamide
CID 939927
2-(4-isobutylphenyl)-N-(3-methylpyridin-2-yl)propanamide
CID 6612586
N-(4-Methylcyclohexyl)-1-(p-fluorobenzyl)-1,8-naphthyridin-2(1H)-on-3-carboxamide
CID 44157745
N-(3-methyl-2-pyridinyl)-2,2-diphenylacetamide
CID 4450213
N-Cycloheptyl-1-[(4-fluorophenyl)methyl]-2-oxo-1,2-dihydro-1,8-naphthyridine-3-carboxamide
CID 7620725
1-(5-fluoropentyl)-N-(4-methylcyclohexyl)-2-oxo-1,8-naphthyridine-3-carboxamide
CID 118719600
4-phenyl-N-(2-pyridinyl)butanamide
CID 836507
N-(5-methylpyridin-2-yl)-4-phenylbutanamide
CID 838086
N-benzyl-2,2-dimethyl-N-(pyridin-2-yl)propanamide
CID 1122454
2-phenyl-N-(2-pyridinyl)butanamide
CID 2852795
N-[2-[(3-methyl-2-pyridinyl)amino]-2-oxoethyl]cyclohexanecarboxamide
CID 18107076
1-[(4-methylphenyl)methyl]-N-(3-methyl-2-pyridinyl)-5-oxopyrrolidine-3-carboxamide
CID 24686893

Frequently Asked Questions

What is the IUPAC name of 5-[2-(butanoylamino)-5-propan-2-yl-3-pyridinyl]-N-[(1S)-1-(4-fluorophenyl)ethyl]pent-4-ynamide?
The IUPAC name of 5-[2-(butanoylamino)-5-propan-2-yl-3-pyridinyl]-N-[(1S)-1-(4-fluorophenyl)ethyl]pent-4-ynamide (CID 145133079) is 5-[2-(butanoylamino)-5-propan-2-yl-3-pyridinyl]-N-[(1S)-1-(4-fluorophenyl)ethyl]pent-4-ynamide.
What is the SMILES notation for 5-[2-(butanoylamino)-5-propan-2-yl-3-pyridinyl]-N-[(1S)-1-(4-fluorophenyl)ethyl]pent-4-ynamide?
The canonical SMILES for 5-[2-(butanoylamino)-5-propan-2-yl-3-pyridinyl]-N-[(1S)-1-(4-fluorophenyl)ethyl]pent-4-ynamide is CCCC(=O)Nc1ncc(C(C)C)cc1C#CCCC(=O)N[C@@H](C)c1ccc(F)cc1.
What is the InChIKey of 5-[2-(butanoylamino)-5-propan-2-yl-3-pyridinyl]-N-[(1S)-1-(4-fluorophenyl)ethyl]pent-4-ynamide?
The InChIKey is SRSMUTIRGSFNAB-SFHVURJKSA-N. The full InChI is InChI=1S/C25H30FN3O2/c1-5-8-23(30)29-25-20(15-21(16-27-25)17(2)3)9-6-7-10-24(31)28-18(4)19-11-13-22(26)14-12-19/h11-18H,5,7-8,10H2,1-4H3,(H,28,31)(H,27,29,30)/t18-/m0/s1.
What are the key properties of 5-[2-(butanoylamino)-5-propan-2-yl-3-pyridinyl]-N-[(1S)-1-(4-fluorophenyl)ethyl]pent-4-ynamide?
5-[2-(butanoylamino)-5-propan-2-yl-3-pyridinyl]-N-[(1S)-1-(4-fluorophenyl)ethyl]pent-4-ynamide has a molecular weight of 423.53 g/mol, XLogP of 5.09, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(butanoylamino)-5-propan-2-yl-3-pyridinyl]-N-[(1S)-1-(4-fluorophenyl)ethyl]pent-4-ynamide is sourced from PubChem (CID 145133079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).