4-[[2-(4-ethenyl-3-methylphenyl)acetyl]amino]-N-(1-ethynylcyclopentyl)pyridine-2-carboxamide

C24H25N3O2 — CID 155588762

IUPAC4-[[2-(4-ethenyl-3-methylphenyl)acetyl]amino]-N-(1-ethynylcyclopentyl)pyridine-2-carboxamide
SMILESC#CC1(NC(=O)c2cc(NC(=O)Cc3ccc(C=C)c(C)c3)ccn2)CCCC1
InChIInChI=1S/C24H25N3O2/c1-4-19-9-8-18(14-17(19)3)15-22(28)26-20-10-13-25-21(16-20)23(29)27-24(5-2)11-6-7-12-24/h2,4,8-10,13-14,16H,1,6-7,11-12,15H2,3H3,(H,27,29)(H,25,26,28)
InChIKeyHZWUUBUSLFKPFY-UHFFFAOYSA-N
MW387.48 g/mol
LogP3.89
Rot. Bonds6

About 4-[[2-(4-ethenyl-3-methylphenyl)acetyl]amino]-N-(1-ethynylcyclopentyl)pyridine-2-carboxamide

4-[[2-(4-ethenyl-3-methylphenyl)acetyl]amino]-N-(1-ethynylcyclopentyl)pyridine-2-carboxamide (PubChem CID 155588762) has the molecular formula C24H25N3O2 and a molecular weight of 387.48 g/mol. Its IUPAC name is 4-[[2-(4-ethenyl-3-methylphenyl)acetyl]amino]-N-(1-ethynylcyclopentyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name4-[[2-(4-ethenyl-3-methylphenyl)acetyl]amino]-N-(1-ethynylcyclopentyl)pyridine-2-carboxamide
PubChem CID155588762
Molecular FormulaC24H25N3O2
Molecular Weight387.48 g/mol
Exact Mass387.19
IUPAC Name4-[[2-(4-ethenyl-3-methylphenyl)acetyl]amino]-N-(1-ethynylcyclopentyl)pyridine-2-carboxamide
SMILESC#CC1(NC(=O)c2cc(NC(=O)Cc3ccc(C=C)c(C)c3)ccn2)CCCC1
InChIInChI=1S/C24H25N3O2/c1-4-19-9-8-18(14-17(19)3)15-22(28)26-20-10-13-25-21(16-20)23(29)27-24(5-2)11-6-7-12-24/h2,4,8-10,13-14,16H,1,6-7,11-12,15H2,3H3,(H,27,29)(H,25,26,28)
InChIKeyHZWUUBUSLFKPFY-UHFFFAOYSA-N
XLogP3.89
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.48
LogP ≤ 53.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(4-cyanooxan-4-yl)-4-[(2-quinolin-6-ylacetyl)amino]pyridine-2-carboxamide
CID 139347848
N-(4-cyanooxan-4-yl)-4-[[2-(1H-indazol-6-yl)acetyl]amino]pyridine-2-carboxamide
CID 155588700
N-tert-butyl-4-[[2-(4-hydroxyphenyl)acetyl]amino]pyridine-2-carboxamide
CID 175058901
4-[[2-(1,3-benzoxazol-6-yl)acetyl]amino]-N-tert-butylpyridine-2-carboxamide
CID 139348119
4-[[2-(2-chlorophenyl)acetyl]amino]-N-(1-ethylcyclopropyl)pyridine-2-carboxamide
CID 170050610
N-(4-cyanooxan-4-yl)-4-[[2-(5-fluoro-2-hydroxyphenyl)acetyl]amino]pyridine-2-carboxamide
CID 139366506
N-tert-butyl-4-[[2-(2,3-dihydro-1,4-benzodioxin-6-yl)acetyl]amino]pyridine-2-carboxamide
CID 139348148
4-[[2-(4-tert-butyl-2-chloro-5-hydroxyphenyl)acetyl]amino]-N-(1-cyanocyclopropyl)pyridine-2-carboxamide
CID 155588572
N-(3-fluoro-1-bicyclo[1.1.1]pentanyl)-4-[[2-(1H-indazol-6-yl)acetyl]amino]pyridine-2-carboxamide
CID 155588704
N-tert-butyl-4-[[2-(4-chloro-3-hydroxyphenyl)acetyl]amino]pyridine-2-carboxamide
CID 139347932
N-(2-methyl-4-pyridinyl)-2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetamide
CID 110766895
N-(2-methylbut-3-yn-2-yl)-4-[[2-[5-(trifluoromethyl)-1H-pyrazol-4-yl]acetyl]amino]pyridine-2-carboxamide
CID 139348425

Frequently Asked Questions

What is the IUPAC name of 4-[[2-(4-ethenyl-3-methylphenyl)acetyl]amino]-N-(1-ethynylcyclopentyl)pyridine-2-carboxamide?
The IUPAC name of 4-[[2-(4-ethenyl-3-methylphenyl)acetyl]amino]-N-(1-ethynylcyclopentyl)pyridine-2-carboxamide (CID 155588762) is 4-[[2-(4-ethenyl-3-methylphenyl)acetyl]amino]-N-(1-ethynylcyclopentyl)pyridine-2-carboxamide.
What is the SMILES notation for 4-[[2-(4-ethenyl-3-methylphenyl)acetyl]amino]-N-(1-ethynylcyclopentyl)pyridine-2-carboxamide?
The canonical SMILES for 4-[[2-(4-ethenyl-3-methylphenyl)acetyl]amino]-N-(1-ethynylcyclopentyl)pyridine-2-carboxamide is C#CC1(NC(=O)c2cc(NC(=O)Cc3ccc(C=C)c(C)c3)ccn2)CCCC1.
What is the InChIKey of 4-[[2-(4-ethenyl-3-methylphenyl)acetyl]amino]-N-(1-ethynylcyclopentyl)pyridine-2-carboxamide?
The InChIKey is HZWUUBUSLFKPFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N3O2/c1-4-19-9-8-18(14-17(19)3)15-22(28)26-20-10-13-25-21(16-20)23(29)27-24(5-2)11-6-7-12-24/h2,4,8-10,13-14,16H,1,6-7,11-12,15H2,3H3,(H,27,29)(H,25,26,28).
What are the key properties of 4-[[2-(4-ethenyl-3-methylphenyl)acetyl]amino]-N-(1-ethynylcyclopentyl)pyridine-2-carboxamide?
4-[[2-(4-ethenyl-3-methylphenyl)acetyl]amino]-N-(1-ethynylcyclopentyl)pyridine-2-carboxamide has a molecular weight of 387.48 g/mol, XLogP of 3.89, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(4-ethenyl-3-methylphenyl)acetyl]amino]-N-(1-ethynylcyclopentyl)pyridine-2-carboxamide is sourced from PubChem (CID 155588762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).