N,N-dimethyl-1-(4-methyl-1,3-thiazol-2-yl)methanamine;N-[3-[(3-formylbenzoyl)amino]propyl]-5-prop-1-en-2-ylpyridine-3-carboxamide;toluene

C34H41N5O3S — CID 143752403

About N,N-dimethyl-1-(4-methyl-1,3-thiazol-2-yl)methanamine;N-[3-[(3-formylbenzoyl)amino]propyl]-5-prop-1-en-2-ylpyridine-3-carboxamide;toluene

N,N-dimethyl-1-(4-methyl-1,3-thiazol-2-yl)methanamine;N-[3-[(3-formylbenzoyl)amino]propyl]-5-prop-1-en-2-ylpyridine-3-carboxamide;toluene (PubChem CID 143752403) has the molecular formula C34H41N5O3S and a molecular weight of 599.80 g/mol. Its IUPAC name is N,N-dimethyl-1-(4-methyl-1,3-thiazol-2-yl)methanamine;N-[3-[(3-formylbenzoyl)amino]propyl]-5-prop-1-en-2-ylpyridine-3-carboxamide;toluene.

Molecular Properties

• Compound Name: N,N-dimethyl-1-(4-methyl-1,3-thiazol-2-yl)methanamine;N-[3-[(3-formylbenzoyl)amino]propyl]-5-prop-1-en-2-ylpyridine-3-carboxamide;toluene
• PubChem CID: 143752403
• Molecular Formula: C34H41N5O3S
• Molecular Weight: 599.80 g/mol
• Exact Mass: 599.29
• IUPAC Name: N,N-dimethyl-1-(4-methyl-1,3-thiazol-2-yl)methanamine;N-[3-[(3-formylbenzoyl)amino]propyl]-5-prop-1-en-2-ylpyridine-3-carboxamide;toluene
• SMILES: C=C(C)c1cncc(C(=O)NCCCNC(=O)c2cccc(C=O)c2)c1.Cc1ccccc1.Cc1csc(CN(C)C)n1
• InChI: InChI=1S/C20H21N3O3.C7H12N2S.C7H8/c1-14(2)17-10-18(12-21-11-17)20(26)23-8-4-7-22-19(25)16-6-3-5-15(9-16)13-24;1-6-5-10-7(8-6)4-9(2)3;1-7-5-3-2-4-6-7/h3,5-6,9-13H,1,4,7-8H2,2H3,(H,22,25)(H,23,26);5H,4H2,1-3H3;2-6H,1H3
• InChIKey: YRSVRKJQLZBAPH-UHFFFAOYSA-N
• XLogP: 5.99
• TPSA: 104.29 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 10
• Heavy Atoms: 43
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	599.80
LogP ≤ 5	5.99
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-1-(4-methyl-1,3-thiazol-2-yl)methanamine;N-[3-[(3-formylbenzoyl)amino]propyl]-5-prop-1-en-2-ylpyridine-3-carboxamide;toluene?

The IUPAC name of N,N-dimethyl-1-(4-methyl-1,3-thiazol-2-yl)methanamine;N-[3-[(3-formylbenzoyl)amino]propyl]-5-prop-1-en-2-ylpyridine-3-carboxamide;toluene (CID 143752403) is N,N-dimethyl-1-(4-methyl-1,3-thiazol-2-yl)methanamine;N-[3-[(3-formylbenzoyl)amino]propyl]-5-prop-1-en-2-ylpyridine-3-carboxamide;toluene.

What is the SMILES notation for N,N-dimethyl-1-(4-methyl-1,3-thiazol-2-yl)methanamine;N-[3-[(3-formylbenzoyl)amino]propyl]-5-prop-1-en-2-ylpyridine-3-carboxamide;toluene?

The canonical SMILES for N,N-dimethyl-1-(4-methyl-1,3-thiazol-2-yl)methanamine;N-[3-[(3-formylbenzoyl)amino]propyl]-5-prop-1-en-2-ylpyridine-3-carboxamide;toluene is C=C(C)c1cncc(C(=O)NCCCNC(=O)c2cccc(C=O)c2)c1.Cc1ccccc1.Cc1csc(CN(C)C)n1.

What is the InChIKey of N,N-dimethyl-1-(4-methyl-1,3-thiazol-2-yl)methanamine;N-[3-[(3-formylbenzoyl)amino]propyl]-5-prop-1-en-2-ylpyridine-3-carboxamide;toluene?

The InChIKey is YRSVRKJQLZBAPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O3.C7H12N2S.C7H8/c1-14(2)17-10-18(12-21-11-17)20(26)23-8-4-7-22-19(25)16-6-3-5-15(9-16)13-24;1-6-5-10-7(8-6)4-9(2)3;1-7-5-3-2-4-6-7/h3,5-6,9-13H,1,4,7-8H2,2H3,(H,22,25)(H,23,26);5H,4H2,1-3H3;2-6H,1H3.

What are the key properties of N,N-dimethyl-1-(4-methyl-1,3-thiazol-2-yl)methanamine;N-[3-[(3-formylbenzoyl)amino]propyl]-5-prop-1-en-2-ylpyridine-3-carboxamide;toluene?

N,N-dimethyl-1-(4-methyl-1,3-thiazol-2-yl)methanamine;N-[3-[(3-formylbenzoyl)amino]propyl]-5-prop-1-en-2-ylpyridine-3-carboxamide;toluene has a molecular weight of 599.80 g/mol, XLogP of 5.99, 10 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N,N-dimethyl-1-(4-methyl-1,3-thiazol-2-yl)methanamine;N-[3-[(3-formylbenzoyl)amino]propyl]-5-prop-1-en-2-ylpyridine-3-carboxamide;toluene is sourced from PubChem (CID 143752403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).