4-[2-(4-methyl-2-pyridinyl)-4-pyridinyl]-N-(2,4,4-trimethylhex-5-yn-2-yl)butanamide

C24H31N3O — CID 178165531

IUPAC4-[2-(4-methyl-2-pyridinyl)-4-pyridinyl]-N-(2,4,4-trimethylhex-5-yn-2-yl)butanamide
SMILESC#CC(C)(C)CC(C)(C)NC(=O)CCCc1ccnc(-c2cc(C)ccn2)c1
InChIInChI=1S/C24H31N3O/c1-7-23(3,4)17-24(5,6)27-22(28)10-8-9-19-12-14-26-21(16-19)20-15-18(2)11-13-25-20/h1,11-16H,8-10,17H2,2-6H3,(H,27,28)
InChIKeyBGTNOUXRGLYZBP-UHFFFAOYSA-N
MW377.53 g/mol
LogP4.72
Rot. Bonds8

About 4-[2-(4-methyl-2-pyridinyl)-4-pyridinyl]-N-(2,4,4-trimethylhex-5-yn-2-yl)butanamide

4-[2-(4-methyl-2-pyridinyl)-4-pyridinyl]-N-(2,4,4-trimethylhex-5-yn-2-yl)butanamide (PubChem CID 178165531) has the molecular formula C24H31N3O and a molecular weight of 377.53 g/mol. Its IUPAC name is 4-[2-(4-methyl-2-pyridinyl)-4-pyridinyl]-N-(2,4,4-trimethylhex-5-yn-2-yl)butanamide.

Molecular Properties

Compound Name4-[2-(4-methyl-2-pyridinyl)-4-pyridinyl]-N-(2,4,4-trimethylhex-5-yn-2-yl)butanamide
PubChem CID178165531
Molecular FormulaC24H31N3O
Molecular Weight377.53 g/mol
Exact Mass377.25
IUPAC Name4-[2-(4-methyl-2-pyridinyl)-4-pyridinyl]-N-(2,4,4-trimethylhex-5-yn-2-yl)butanamide
SMILESC#CC(C)(C)CC(C)(C)NC(=O)CCCc1ccnc(-c2cc(C)ccn2)c1
InChIInChI=1S/C24H31N3O/c1-7-23(3,4)17-24(5,6)27-22(28)10-8-9-19-12-14-26-21(16-19)20-15-18(2)11-13-25-20/h1,11-16H,8-10,17H2,2-6H3,(H,27,28)
InChIKeyBGTNOUXRGLYZBP-UHFFFAOYSA-N
XLogP4.72
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.53
LogP ≤ 54.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 4-[2-(4-methyl-2-pyridinyl)-4-pyridinyl]-N-(2,4,4-trimethylhex-5-yn-2-yl)butanamide with MolForge

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Related Compounds

7-[2-(4-methyl-2-pyridinyl)-4-pyridinyl]heptanoic acid
CID 121355475
2-[2-(4-methyl-2-pyridinyl)-4-pyridinyl]ethanol
CID 14324169
6-[2,6-bis[4-[2-(4-methyl-2-pyridinyl)-4-pyridinyl]butanoylamino]hexanoylamino]-2-[4-[2-(4-methyl-2-pyridinyl)-4-pyridinyl]butanoylamino]hexanoic acid
CID 101269299
2-(4-hexadecyl-2-pyridinyl)-4-methylpyridine
CID 12820693
2,3-diamino-N-[7-[2-(4-methyl-2-pyridinyl)-4-pyridinyl]heptyl]propanamide
CID 101361615
4-[2-(4-methyl-2-pyridinyl)-4-pyridinyl]butanoic acid;molecular fluorine;molecular iodine;bis(2-pyridin-2-ylpyridine);ruthenium(1+);tetrafluoro-(tetrafluoro-λ5-phosphanyl)-λ5-phosphane
CID 161329789
iron(3+);tris(2-(4-methyl-2-pyridinyl)-4-(2-pyridin-4-ylethyl)pyridine)
CID 175883888
(2S)-4-[2-(4-methyl-2-pyridinyl)-4-pyridinyl]butan-2-ol
CID 86336472
N-imidazol-1-yl-11-(2-pyridin-2-yl-4-pyridinyl)undecanamide
CID 101021022
4-(4-chlorophenyl)-N-(4-methyl-2-pyridinyl)butanamide
CID 47245712
4-(1,3-dimethyl-2,6-dioxo-7H-purin-8-yl)-3,3-dimethyl-N-[4-[2-(4-methyl-2-pyridinyl)-4-pyridinyl]butyl]butanamide
CID 20704997
2-[4-(2-bromoethyl)-2-pyridinyl]-4-methylpyridine;bis(2-pyridin-2-ylpyridine);ruthenium
CID 20704991

Frequently Asked Questions

What is the IUPAC name of 4-[2-(4-methyl-2-pyridinyl)-4-pyridinyl]-N-(2,4,4-trimethylhex-5-yn-2-yl)butanamide?
The IUPAC name of 4-[2-(4-methyl-2-pyridinyl)-4-pyridinyl]-N-(2,4,4-trimethylhex-5-yn-2-yl)butanamide (CID 178165531) is 4-[2-(4-methyl-2-pyridinyl)-4-pyridinyl]-N-(2,4,4-trimethylhex-5-yn-2-yl)butanamide.
What is the SMILES notation for 4-[2-(4-methyl-2-pyridinyl)-4-pyridinyl]-N-(2,4,4-trimethylhex-5-yn-2-yl)butanamide?
The canonical SMILES for 4-[2-(4-methyl-2-pyridinyl)-4-pyridinyl]-N-(2,4,4-trimethylhex-5-yn-2-yl)butanamide is C#CC(C)(C)CC(C)(C)NC(=O)CCCc1ccnc(-c2cc(C)ccn2)c1.
What is the InChIKey of 4-[2-(4-methyl-2-pyridinyl)-4-pyridinyl]-N-(2,4,4-trimethylhex-5-yn-2-yl)butanamide?
The InChIKey is BGTNOUXRGLYZBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31N3O/c1-7-23(3,4)17-24(5,6)27-22(28)10-8-9-19-12-14-26-21(16-19)20-15-18(2)11-13-25-20/h1,11-16H,8-10,17H2,2-6H3,(H,27,28).
What are the key properties of 4-[2-(4-methyl-2-pyridinyl)-4-pyridinyl]-N-(2,4,4-trimethylhex-5-yn-2-yl)butanamide?
4-[2-(4-methyl-2-pyridinyl)-4-pyridinyl]-N-(2,4,4-trimethylhex-5-yn-2-yl)butanamide has a molecular weight of 377.53 g/mol, XLogP of 4.72, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(4-methyl-2-pyridinyl)-4-pyridinyl]-N-(2,4,4-trimethylhex-5-yn-2-yl)butanamide is sourced from PubChem (CID 178165531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).