N-but-1-en-2-yl-N-(4-methyl-2-pyridinyl)propanamide;2-chloro-4,6-dimethylpyridine;3-chloro-2,4-dimethylpyridine;2,4-dimethyl-1-(4-methylphenyl)pyrrole;tetrakis(2,4-dimethylpyridine);2,6-dimethylpyridine;5-methyl-3-(4-methylphenyl)-1,2,4-oxadiazole;methyl N-(4-methyl-2-pyridinyl)carbamate;1-(4-methylphenyl)ethanone;5-methyl-1H-pyrazole;5-methylpyridin-2-amine;3-methylpyridine;4-methylpyridine;1-(5-methyl-3-pyridinyl)ethanone;1,3,5-trimethylpyrazole

C138H171Cl2N23O6 — CID 162044027

About N-but-1-en-2-yl-N-(4-methyl-2-pyridinyl)propanamide;2-chloro-4,6-dimethylpyridine;3-chloro-2,4-dimethylpyridine;2,4-dimethyl-1-(4-methylphenyl)pyrrole;tetrakis(2,4-dimethylpyridine);2,6-dimethylpyridine;5-methyl-3-(4-methylphenyl)-1,2,4-oxadiazole;methyl N-(4-methyl-2-pyridinyl)carbamate;1-(4-methylphenyl)ethanone;5-methyl-1H-pyrazole;5-methylpyridin-2-amine;3-methylpyridine;4-methylpyridine;1-(5-methyl-3-pyridinyl)ethanone;1,3,5-trimethylpyrazole

N-but-1-en-2-yl-N-(4-methyl-2-pyridinyl)propanamide;2-chloro-4,6-dimethylpyridine;3-chloro-2,4-dimethylpyridine;2,4-dimethyl-1-(4-methylphenyl)pyrrole;tetrakis(2,4-dimethylpyridine);2,6-dimethylpyridine;5-methyl-3-(4-methylphenyl)-1,2,4-oxadiazole;methyl N-(4-methyl-2-pyridinyl)carbamate;1-(4-methylphenyl)ethanone;5-methyl-1H-pyrazole;5-methylpyridin-2-amine;3-methylpyridine;4-methylpyridine;1-(5-methyl-3-pyridinyl)ethanone;1,3,5-trimethylpyrazole (PubChem CID 162044027) has the molecular formula C138H171Cl2N23O6 and a molecular weight of 2318.95 g/mol. Its IUPAC name is N-but-1-en-2-yl-N-(4-methyl-2-pyridinyl)propanamide;2-chloro-4,6-dimethylpyridine;3-chloro-2,4-dimethylpyridine;2,4-dimethyl-1-(4-methylphenyl)pyrrole;tetrakis(2,4-dimethylpyridine);2,6-dimethylpyridine;5-methyl-3-(4-methylphenyl)-1,2,4-oxadiazole;methyl N-(4-methyl-2-pyridinyl)carbamate;1-(4-methylphenyl)ethanone;5-methyl-1H-pyrazole;5-methylpyridin-2-amine;3-methylpyridine;4-methylpyridine;1-(5-methyl-3-pyridinyl)ethanone;1,3,5-trimethylpyrazole.

Molecular Properties

• Compound Name: N-but-1-en-2-yl-N-(4-methyl-2-pyridinyl)propanamide;2-chloro-4,6-dimethylpyridine;3-chloro-2,4-dimethylpyridine;2,4-dimethyl-1-(4-methylphenyl)pyrrole;tetrakis(2,4-dimethylpyridine);2,6-dimethylpyridine;5-methyl-3-(4-methylphenyl)-1,2,4-oxadiazole;methyl N-(4-methyl-2-pyridinyl)carbamate;1-(4-methylphenyl)ethanone;5-methyl-1H-pyrazole;5-methylpyridin-2-amine;3-methylpyridine;4-methylpyridine;1-(5-methyl-3-pyridinyl)ethanone;1,3,5-trimethylpyrazole
• PubChem CID: 162044027
• Molecular Formula: C138H171Cl2N23O6
• Molecular Weight: 2318.95 g/mol
• Exact Mass: 2316.32
• IUPAC Name: N-but-1-en-2-yl-N-(4-methyl-2-pyridinyl)propanamide;2-chloro-4,6-dimethylpyridine;3-chloro-2,4-dimethylpyridine;2,4-dimethyl-1-(4-methylphenyl)pyrrole;tetrakis(2,4-dimethylpyridine);2,6-dimethylpyridine;5-methyl-3-(4-methylphenyl)-1,2,4-oxadiazole;methyl N-(4-methyl-2-pyridinyl)carbamate;1-(4-methylphenyl)ethanone;5-methyl-1H-pyrazole;5-methylpyridin-2-amine;3-methylpyridine;4-methylpyridine;1-(5-methyl-3-pyridinyl)ethanone;1,3,5-trimethylpyrazole
• SMILES: C=C(CC)N(C(=O)CC)c1cc(C)ccn1.CC(=O)c1ccc(C)cc1.CC(=O)c1cncc(C)c1.COC(=O)Nc1cc(C)ccn1.Cc1cc(C)n(C)n1.Cc1cc(C)nc(Cl)c1.Cc1ccc(-c2noc(C)n2)cc1.Cc1ccc(-n2cc(C)cc2C)cc1.Cc1ccc(N)nc1.Cc1cccc(C)n1.Cc1cccnc1.Cc1ccn[nH]1.Cc1ccnc(C)c1.Cc1ccnc(C)c1.Cc1ccnc(C)c1.Cc1ccnc(C)c1.Cc1ccnc(C)c1Cl.Cc1ccncc1
• InChI: InChI=1S/C13H18N2O.C13H15N.C10H10N2O.C9H10O.C8H10N2O2.C8H9NO.2C7H8ClN.5C7H9N.C6H10N2.C6H8N2.2C6H7N.C4H6N2/c1-5-11(4)15(13(16)6-2)12-9-10(3)7-8-14-12;1-10-4-6-13(7-5-10)14-9-11(2)8-12(14)3;1-7-3-5-9(6-4-7)10-11-8(2)13-12-10;1-7-3-5-9(6-4-7)8(2)10;1-6-3-4-9-7(5-6)10-8(11)12-2;1-6-3-8(7(2)10)5-9-4-6;1-5-3-6(2)9-7(8)4-5;1-5-3-4-9-6(2)7(5)8;4*1-6-3-4-8-7(2)5-6;1-6-4-3-5-7(2)8-6;1-5-4-6(2)8(3)7-5;1-5-2-3-6(7)8-4-5;1-6-2-4-7-5-3-6;1-6-3-2-4-7-5-6;1-4-2-3-5-6-4/h7-9H,4-6H2,1-3H3;4-9H,1-3H3;3-6H,1-2H3;3-6H,1-2H3;3-5H,1-2H3,(H,9,10,11);3-5H,1-2H3;2*3-4H,1-2H3;5*3-5H,1-2H3;4H,1-3H3;2-4H,1H3,(H2,7,8);2*2-5H,1H3;2-3H,1H3,(H,5,6)
• InChIKey: YXQQDAMGOZHGHR-UHFFFAOYSA-N
• XLogP: 32.87
• TPSA: 376.72 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 26
• Rotatable Bonds: 9
• Heavy Atoms: 169
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2318.95
LogP ≤ 5	32.87
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	26

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-but-1-en-2-yl-N-(4-methyl-2-pyridinyl)propanamide;2-chloro-4,6-dimethylpyridine;3-chloro-2,4-dimethylpyridine;2,4-dimethyl-1-(4-methylphenyl)pyrrole;tetrakis(2,4-dimethylpyridine);2,6-dimethylpyridine;5-methyl-3-(4-methylphenyl)-1,2,4-oxadiazole;methyl N-(4-methyl-2-pyridinyl)carbamate;1-(4-methylphenyl)ethanone;5-methyl-1H-pyrazole;5-methylpyridin-2-amine;3-methylpyridine;4-methylpyridine;1-(5-methyl-3-pyridinyl)ethanone;1,3,5-trimethylpyrazole?

The IUPAC name of N-but-1-en-2-yl-N-(4-methyl-2-pyridinyl)propanamide;2-chloro-4,6-dimethylpyridine;3-chloro-2,4-dimethylpyridine;2,4-dimethyl-1-(4-methylphenyl)pyrrole;tetrakis(2,4-dimethylpyridine);2,6-dimethylpyridine;5-methyl-3-(4-methylphenyl)-1,2,4-oxadiazole;methyl N-(4-methyl-2-pyridinyl)carbamate;1-(4-methylphenyl)ethanone;5-methyl-1H-pyrazole;5-methylpyridin-2-amine;3-methylpyridine;4-methylpyridine;1-(5-methyl-3-pyridinyl)ethanone;1,3,5-trimethylpyrazole (CID 162044027) is N-but-1-en-2-yl-N-(4-methyl-2-pyridinyl)propanamide;2-chloro-4,6-dimethylpyridine;3-chloro-2,4-dimethylpyridine;2,4-dimethyl-1-(4-methylphenyl)pyrrole;tetrakis(2,4-dimethylpyridine);2,6-dimethylpyridine;5-methyl-3-(4-methylphenyl)-1,2,4-oxadiazole;methyl N-(4-methyl-2-pyridinyl)carbamate;1-(4-methylphenyl)ethanone;5-methyl-1H-pyrazole;5-methylpyridin-2-amine;3-methylpyridine;4-methylpyridine;1-(5-methyl-3-pyridinyl)ethanone;1,3,5-trimethylpyrazole.

What is the SMILES notation for N-but-1-en-2-yl-N-(4-methyl-2-pyridinyl)propanamide;2-chloro-4,6-dimethylpyridine;3-chloro-2,4-dimethylpyridine;2,4-dimethyl-1-(4-methylphenyl)pyrrole;tetrakis(2,4-dimethylpyridine);2,6-dimethylpyridine;5-methyl-3-(4-methylphenyl)-1,2,4-oxadiazole;methyl N-(4-methyl-2-pyridinyl)carbamate;1-(4-methylphenyl)ethanone;5-methyl-1H-pyrazole;5-methylpyridin-2-amine;3-methylpyridine;4-methylpyridine;1-(5-methyl-3-pyridinyl)ethanone;1,3,5-trimethylpyrazole?

The canonical SMILES for N-but-1-en-2-yl-N-(4-methyl-2-pyridinyl)propanamide;2-chloro-4,6-dimethylpyridine;3-chloro-2,4-dimethylpyridine;2,4-dimethyl-1-(4-methylphenyl)pyrrole;tetrakis(2,4-dimethylpyridine);2,6-dimethylpyridine;5-methyl-3-(4-methylphenyl)-1,2,4-oxadiazole;methyl N-(4-methyl-2-pyridinyl)carbamate;1-(4-methylphenyl)ethanone;5-methyl-1H-pyrazole;5-methylpyridin-2-amine;3-methylpyridine;4-methylpyridine;1-(5-methyl-3-pyridinyl)ethanone;1,3,5-trimethylpyrazole is C=C(CC)N(C(=O)CC)c1cc(C)ccn1.CC(=O)c1ccc(C)cc1.CC(=O)c1cncc(C)c1.COC(=O)Nc1cc(C)ccn1.Cc1cc(C)n(C)n1.Cc1cc(C)nc(Cl)c1.Cc1ccc(-c2noc(C)n2)cc1.Cc1ccc(-n2cc(C)cc2C)cc1.Cc1ccc(N)nc1.Cc1cccc(C)n1.Cc1cccnc1.Cc1ccn[nH]1.Cc1ccnc(C)c1.Cc1ccnc(C)c1.Cc1ccnc(C)c1.Cc1ccnc(C)c1.Cc1ccnc(C)c1Cl.Cc1ccncc1.

What is the InChIKey of N-but-1-en-2-yl-N-(4-methyl-2-pyridinyl)propanamide;2-chloro-4,6-dimethylpyridine;3-chloro-2,4-dimethylpyridine;2,4-dimethyl-1-(4-methylphenyl)pyrrole;tetrakis(2,4-dimethylpyridine);2,6-dimethylpyridine;5-methyl-3-(4-methylphenyl)-1,2,4-oxadiazole;methyl N-(4-methyl-2-pyridinyl)carbamate;1-(4-methylphenyl)ethanone;5-methyl-1H-pyrazole;5-methylpyridin-2-amine;3-methylpyridine;4-methylpyridine;1-(5-methyl-3-pyridinyl)ethanone;1,3,5-trimethylpyrazole?

The InChIKey is YXQQDAMGOZHGHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O.C13H15N.C10H10N2O.C9H10O.C8H10N2O2.C8H9NO.2C7H8ClN.5C7H9N.C6H10N2.C6H8N2.2C6H7N.C4H6N2/c1-5-11(4)15(13(16)6-2)12-9-10(3)7-8-14-12;1-10-4-6-13(7-5-10)14-9-11(2)8-12(14)3;1-7-3-5-9(6-4-7)10-11-8(2)13-12-10;1-7-3-5-9(6-4-7)8(2)10;1-6-3-4-9-7(5-6)10-8(11)12-2;1-6-3-8(7(2)10)5-9-4-6;1-5-3-6(2)9-7(8)4-5;1-5-3-4-9-6(2)7(5)8;4*1-6-3-4-8-7(2)5-6;1-6-4-3-5-7(2)8-6;1-5-4-6(2)8(3)7-5;1-5-2-3-6(7)8-4-5;1-6-2-4-7-5-3-6;1-6-3-2-4-7-5-6;1-4-2-3-5-6-4/h7-9H,4-6H2,1-3H3;4-9H,1-3H3;3-6H,1-2H3;3-6H,1-2H3;3-5H,1-2H3,(H,9,10,11);3-5H,1-2H3;2*3-4H,1-2H3;5*3-5H,1-2H3;4H,1-3H3;2-4H,1H3,(H2,7,8);2*2-5H,1H3;2-3H,1H3,(H,5,6).

What are the key properties of N-but-1-en-2-yl-N-(4-methyl-2-pyridinyl)propanamide;2-chloro-4,6-dimethylpyridine;3-chloro-2,4-dimethylpyridine;2,4-dimethyl-1-(4-methylphenyl)pyrrole;tetrakis(2,4-dimethylpyridine);2,6-dimethylpyridine;5-methyl-3-(4-methylphenyl)-1,2,4-oxadiazole;methyl N-(4-methyl-2-pyridinyl)carbamate;1-(4-methylphenyl)ethanone;5-methyl-1H-pyrazole;5-methylpyridin-2-amine;3-methylpyridine;4-methylpyridine;1-(5-methyl-3-pyridinyl)ethanone;1,3,5-trimethylpyrazole?

N-but-1-en-2-yl-N-(4-methyl-2-pyridinyl)propanamide;2-chloro-4,6-dimethylpyridine;3-chloro-2,4-dimethylpyridine;2,4-dimethyl-1-(4-methylphenyl)pyrrole;tetrakis(2,4-dimethylpyridine);2,6-dimethylpyridine;5-methyl-3-(4-methylphenyl)-1,2,4-oxadiazole;methyl N-(4-methyl-2-pyridinyl)carbamate;1-(4-methylphenyl)ethanone;5-methyl-1H-pyrazole;5-methylpyridin-2-amine;3-methylpyridine;4-methylpyridine;1-(5-methyl-3-pyridinyl)ethanone;1,3,5-trimethylpyrazole has a molecular weight of 2318.95 g/mol, XLogP of 32.87, 9 rotatable bonds, 3 hydrogen bond donors, and 26 hydrogen bond acceptors.

Where does this data come from?

All data for N-but-1-en-2-yl-N-(4-methyl-2-pyridinyl)propanamide;2-chloro-4,6-dimethylpyridine;3-chloro-2,4-dimethylpyridine;2,4-dimethyl-1-(4-methylphenyl)pyrrole;tetrakis(2,4-dimethylpyridine);2,6-dimethylpyridine;5-methyl-3-(4-methylphenyl)-1,2,4-oxadiazole;methyl N-(4-methyl-2-pyridinyl)carbamate;1-(4-methylphenyl)ethanone;5-methyl-1H-pyrazole;5-methylpyridin-2-amine;3-methylpyridine;4-methylpyridine;1-(5-methyl-3-pyridinyl)ethanone;1,3,5-trimethylpyrazole is sourced from PubChem (CID 162044027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).