2-[[2-(benzotriazol-1-yl)acetyl]-(3-ethoxypropyl)amino]-N-(furan-2-ylmethyl)-2-pyridin-4-ylacetamide

C25H28N6O4 — CID 656241

IUPAC2-[[2-(benzotriazol-1-yl)acetyl]-(3-ethoxypropyl)amino]-N-(furan-2-ylmethyl)-2-pyridin-4-ylacetamide
SMILESCCOCCCN(C(=O)Cn1nnc2ccccc21)C(C(=O)NCc1ccco1)c1ccncc1
InChIInChI=1S/C25H28N6O4/c1-2-34-15-6-14-30(23(32)18-31-22-9-4-3-8-21(22)28-29-31)24(19-10-12-26-13-11-19)25(33)27-17-20-7-5-16-35-20/h3-5,7-13,16,24H,2,6,14-15,17-18H2,1H3,(H,27,33)
InChIKeyIIMUJAYCBFYCPZ-UHFFFAOYSA-N
MW476.54 g/mol
LogP2.73
Rot. Bonds12

About 2-[[2-(benzotriazol-1-yl)acetyl]-(3-ethoxypropyl)amino]-N-(furan-2-ylmethyl)-2-pyridin-4-ylacetamide

2-[[2-(benzotriazol-1-yl)acetyl]-(3-ethoxypropyl)amino]-N-(furan-2-ylmethyl)-2-pyridin-4-ylacetamide (PubChem CID 656241) has the molecular formula C25H28N6O4 and a molecular weight of 476.54 g/mol. Its IUPAC name is 2-[[2-(benzotriazol-1-yl)acetyl]-(3-ethoxypropyl)amino]-N-(furan-2-ylmethyl)-2-pyridin-4-ylacetamide.

Molecular Properties

Compound Name2-[[2-(benzotriazol-1-yl)acetyl]-(3-ethoxypropyl)amino]-N-(furan-2-ylmethyl)-2-pyridin-4-ylacetamide
PubChem CID656241
Molecular FormulaC25H28N6O4
Molecular Weight476.54 g/mol
Exact Mass476.22
IUPAC Name2-[[2-(benzotriazol-1-yl)acetyl]-(3-ethoxypropyl)amino]-N-(furan-2-ylmethyl)-2-pyridin-4-ylacetamide
SMILESCCOCCCN(C(=O)Cn1nnc2ccccc21)C(C(=O)NCc1ccco1)c1ccncc1
InChIInChI=1S/C25H28N6O4/c1-2-34-15-6-14-30(23(32)18-31-22-9-4-3-8-21(22)28-29-31)24(19-10-12-26-13-11-19)25(33)27-17-20-7-5-16-35-20/h3-5,7-13,16,24H,2,6,14-15,17-18H2,1H3,(H,27,33)
InChIKeyIIMUJAYCBFYCPZ-UHFFFAOYSA-N
XLogP2.73
TPSA115.38 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds12
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.54
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

(2E)-2-cyano-3-[2,5-dimethyl-1-(pyridin-3-yl)-1H-pyrrol-3-yl]-N-(furan-2-ylmethyl)prop-2-enamide
CID 829165
N-[2-(cyclopentylamino)-2-oxo-1-pyridin-4-ylethyl]-N-(furan-2-ylmethyl)-5-phenyl-1H-pyrrole-2-carboxamide
CID 3180466
N-Furan-2-ylmethyl-2-(3-propionyl-indol-1-yl)-acetamide
CID 955329
2-[N-(4-aminobutyl)-2-[N-(4-aminobutyl)-2-{2-[N-(4-aminobutyl)-2-{2-[N-(4-aminobutyl)-2-{2-[N-(4-aminobutyl)-2-{[2-(1H-indol-3-yl)ethyl]amino}acetamido]-N-(furan-2-ylmethyl)acetamido}acetamido]-N-(2-methylpropyl)acetamido}acetamido]-N-(2-methylpropyl)acetamido}acetamido]acetamido]acetamide
CID 24873735
2-Amino-N-furan-2-ylmethyl-3-(1H-indol-3-yl)-propionamide
CID 582509
2-[(2-Benzotriazol-1-yl-acetyl)-(tetrahydro-furan-2-ylmethyl)-amino]-N-furan-2-ylmethyl-2-o-tolyl-acetamide
CID 644932
2-[(2-Benzotriazol-1-yl-acetyl)-(3-methoxy-phenyl)-amino]-N-furan-2-ylmethyl-2-pyridin-3-yl-acetamide
CID 645568
2-[(2-Benzotriazol-1-yl-acetyl)-m-tolyl-amino]-N-furan-2-ylmethyl-2-pyridin-4-yl-acetamide
CID 645895
2-(N-[2-(1-benzotriazolyl)-1-oxoethyl]-4-methylanilino)-N-(2-furanylmethyl)-2-(3-pyridinyl)acetamide
CID 647425
2-[(2-Benzotriazol-1-yl-acetyl)-(2,5-dimethyl-phenyl)-amino]-N-furan-2-ylmethyl-2-pyridin-4-yl-acetamide
CID 647558
2-[(2-Benzotriazol-1-yl-acetyl)-(4-methoxy-benzyl)-amino]-N-(2-methoxy-ethyl)-2-(5-methyl-furan-2-yl)-acetamide
CID 647835
2-[(2-Benzotriazol-1-yl-acetyl)-(tetrahydro-furan-2-ylmethyl)-amino]-N-furan-2-ylmethyl-2-p-tolyl-acetamide
CID 648318

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(benzotriazol-1-yl)acetyl]-(3-ethoxypropyl)amino]-N-(furan-2-ylmethyl)-2-pyridin-4-ylacetamide?
The IUPAC name of 2-[[2-(benzotriazol-1-yl)acetyl]-(3-ethoxypropyl)amino]-N-(furan-2-ylmethyl)-2-pyridin-4-ylacetamide (CID 656241) is 2-[[2-(benzotriazol-1-yl)acetyl]-(3-ethoxypropyl)amino]-N-(furan-2-ylmethyl)-2-pyridin-4-ylacetamide.
What is the SMILES notation for 2-[[2-(benzotriazol-1-yl)acetyl]-(3-ethoxypropyl)amino]-N-(furan-2-ylmethyl)-2-pyridin-4-ylacetamide?
The canonical SMILES for 2-[[2-(benzotriazol-1-yl)acetyl]-(3-ethoxypropyl)amino]-N-(furan-2-ylmethyl)-2-pyridin-4-ylacetamide is CCOCCCN(C(=O)Cn1nnc2ccccc21)C(C(=O)NCc1ccco1)c1ccncc1.
What is the InChIKey of 2-[[2-(benzotriazol-1-yl)acetyl]-(3-ethoxypropyl)amino]-N-(furan-2-ylmethyl)-2-pyridin-4-ylacetamide?
The InChIKey is IIMUJAYCBFYCPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N6O4/c1-2-34-15-6-14-30(23(32)18-31-22-9-4-3-8-21(22)28-29-31)24(19-10-12-26-13-11-19)25(33)27-17-20-7-5-16-35-20/h3-5,7-13,16,24H,2,6,14-15,17-18H2,1H3,(H,27,33).
What are the key properties of 2-[[2-(benzotriazol-1-yl)acetyl]-(3-ethoxypropyl)amino]-N-(furan-2-ylmethyl)-2-pyridin-4-ylacetamide?
2-[[2-(benzotriazol-1-yl)acetyl]-(3-ethoxypropyl)amino]-N-(furan-2-ylmethyl)-2-pyridin-4-ylacetamide has a molecular weight of 476.54 g/mol, XLogP of 2.73, 12 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(benzotriazol-1-yl)acetyl]-(3-ethoxypropyl)amino]-N-(furan-2-ylmethyl)-2-pyridin-4-ylacetamide is sourced from PubChem (CID 656241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).