2-[2-[formyl(methyl)amino]-3-[1-[(1-formylpiperidin-4-yl)methyl]triazol-4-yl]-N-methylanilino]-N-methyl-5-oxopentanamide

C24H33N7O4 — CID 170572760

IUPAC2-[2-[formyl(methyl)amino]-3-[1-[(1-formylpiperidin-4-yl)methyl]triazol-4-yl]-N-methylanilino]-N-methyl-5-oxopentanamide
SMILESCNC(=O)C(CCC=O)N(C)c1cccc(-c2cn(CC3CCN(C=O)CC3)nn2)c1N(C)C=O
InChIInChI=1S/C24H33N7O4/c1-25-24(35)22(8-5-13-32)29(3)21-7-4-6-19(23(21)28(2)16-33)20-15-31(27-26-20)14-18-9-11-30(17-34)12-10-18/h4,6-7,13,15-18,22H,5,8-12,14H2,1-3H3,(H,25,35)
InChIKeyMWOHOQJTXVKDAL-UHFFFAOYSA-N
MW483.57 g/mol
LogP0.94
Rot. Bonds12

About 2-[2-[formyl(methyl)amino]-3-[1-[(1-formylpiperidin-4-yl)methyl]triazol-4-yl]-N-methylanilino]-N-methyl-5-oxopentanamide

2-[2-[formyl(methyl)amino]-3-[1-[(1-formylpiperidin-4-yl)methyl]triazol-4-yl]-N-methylanilino]-N-methyl-5-oxopentanamide (PubChem CID 170572760) has the molecular formula C24H33N7O4 and a molecular weight of 483.57 g/mol. Its IUPAC name is 2-[2-[formyl(methyl)amino]-3-[1-[(1-formylpiperidin-4-yl)methyl]triazol-4-yl]-N-methylanilino]-N-methyl-5-oxopentanamide.

Molecular Properties

Compound Name2-[2-[formyl(methyl)amino]-3-[1-[(1-formylpiperidin-4-yl)methyl]triazol-4-yl]-N-methylanilino]-N-methyl-5-oxopentanamide
PubChem CID170572760
Molecular FormulaC24H33N7O4
Molecular Weight483.57 g/mol
Exact Mass483.26
IUPAC Name2-[2-[formyl(methyl)amino]-3-[1-[(1-formylpiperidin-4-yl)methyl]triazol-4-yl]-N-methylanilino]-N-methyl-5-oxopentanamide
SMILESCNC(=O)C(CCC=O)N(C)c1cccc(-c2cn(CC3CCN(C=O)CC3)nn2)c1N(C)C=O
InChIInChI=1S/C24H33N7O4/c1-25-24(35)22(8-5-13-32)29(3)21-7-4-6-19(23(21)28(2)16-33)20-15-31(27-26-20)14-18-9-11-30(17-34)12-10-18/h4,6-7,13,15-18,22H,5,8-12,14H2,1-3H3,(H,25,35)
InChIKeyMWOHOQJTXVKDAL-UHFFFAOYSA-N
XLogP0.94
TPSA120.74 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds12
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.57
LogP ≤ 50.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[formyl(methyl)amino]-3-[1-[(1-formylpiperidin-4-yl)methyl]triazol-4-yl]-N-methylanilino]-N-methyl-5-oxopentanamide?
The IUPAC name of 2-[2-[formyl(methyl)amino]-3-[1-[(1-formylpiperidin-4-yl)methyl]triazol-4-yl]-N-methylanilino]-N-methyl-5-oxopentanamide (CID 170572760) is 2-[2-[formyl(methyl)amino]-3-[1-[(1-formylpiperidin-4-yl)methyl]triazol-4-yl]-N-methylanilino]-N-methyl-5-oxopentanamide.
What is the SMILES notation for 2-[2-[formyl(methyl)amino]-3-[1-[(1-formylpiperidin-4-yl)methyl]triazol-4-yl]-N-methylanilino]-N-methyl-5-oxopentanamide?
The canonical SMILES for 2-[2-[formyl(methyl)amino]-3-[1-[(1-formylpiperidin-4-yl)methyl]triazol-4-yl]-N-methylanilino]-N-methyl-5-oxopentanamide is CNC(=O)C(CCC=O)N(C)c1cccc(-c2cn(CC3CCN(C=O)CC3)nn2)c1N(C)C=O.
What is the InChIKey of 2-[2-[formyl(methyl)amino]-3-[1-[(1-formylpiperidin-4-yl)methyl]triazol-4-yl]-N-methylanilino]-N-methyl-5-oxopentanamide?
The InChIKey is MWOHOQJTXVKDAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H33N7O4/c1-25-24(35)22(8-5-13-32)29(3)21-7-4-6-19(23(21)28(2)16-33)20-15-31(27-26-20)14-18-9-11-30(17-34)12-10-18/h4,6-7,13,15-18,22H,5,8-12,14H2,1-3H3,(H,25,35).
What are the key properties of 2-[2-[formyl(methyl)amino]-3-[1-[(1-formylpiperidin-4-yl)methyl]triazol-4-yl]-N-methylanilino]-N-methyl-5-oxopentanamide?
2-[2-[formyl(methyl)amino]-3-[1-[(1-formylpiperidin-4-yl)methyl]triazol-4-yl]-N-methylanilino]-N-methyl-5-oxopentanamide has a molecular weight of 483.57 g/mol, XLogP of 0.94, 12 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[formyl(methyl)amino]-3-[1-[(1-formylpiperidin-4-yl)methyl]triazol-4-yl]-N-methylanilino]-N-methyl-5-oxopentanamide is sourced from PubChem (CID 170572760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).