2-(N-[2-[5-(4-chlorophenyl)tetrazol-2-yl]acetyl]-4-methoxyanilino)-N-(oxolan-2-ylmethyl)-2-pyridin-4-ylacetamide

C28H28ClN7O4 — CID 3180912

IUPAC2-(N-[2-[5-(4-chlorophenyl)tetrazol-2-yl]acetyl]-4-methoxyanilino)-N-(oxolan-2-ylmethyl)-2-pyridin-4-ylacetamide
SMILESCOc1ccc(N(C(=O)Cn2nnc(-c3ccc(Cl)cc3)n2)C(C(=O)NCC2CCCO2)c2ccncc2)cc1
InChIInChI=1S/C28H28ClN7O4/c1-39-23-10-8-22(9-11-23)36(25(37)18-35-33-27(32-34-35)20-4-6-21(29)7-5-20)26(19-12-14-30-15-13-19)28(38)31-17-24-3-2-16-40-24/h4-15,24,26H,2-3,16-18H2,1H3,(H,31,38)
InChIKeyBGNJQWUZQBRDFB-UHFFFAOYSA-N
MW562.03 g/mol
LogP3.47
Rot. Bonds10

About 2-(N-[2-[5-(4-chlorophenyl)tetrazol-2-yl]acetyl]-4-methoxyanilino)-N-(oxolan-2-ylmethyl)-2-pyridin-4-ylacetamide

2-(N-[2-[5-(4-chlorophenyl)tetrazol-2-yl]acetyl]-4-methoxyanilino)-N-(oxolan-2-ylmethyl)-2-pyridin-4-ylacetamide (PubChem CID 3180912) has the molecular formula C28H28ClN7O4 and a molecular weight of 562.03 g/mol. Its IUPAC name is 2-(N-[2-[5-(4-chlorophenyl)tetrazol-2-yl]acetyl]-4-methoxyanilino)-N-(oxolan-2-ylmethyl)-2-pyridin-4-ylacetamide.

Molecular Properties

Compound Name2-(N-[2-[5-(4-chlorophenyl)tetrazol-2-yl]acetyl]-4-methoxyanilino)-N-(oxolan-2-ylmethyl)-2-pyridin-4-ylacetamide
PubChem CID3180912
Molecular FormulaC28H28ClN7O4
Molecular Weight562.03 g/mol
Exact Mass561.19
IUPAC Name2-(N-[2-[5-(4-chlorophenyl)tetrazol-2-yl]acetyl]-4-methoxyanilino)-N-(oxolan-2-ylmethyl)-2-pyridin-4-ylacetamide
SMILESCOc1ccc(N(C(=O)Cn2nnc(-c3ccc(Cl)cc3)n2)C(C(=O)NCC2CCCO2)c2ccncc2)cc1
InChIInChI=1S/C28H28ClN7O4/c1-39-23-10-8-22(9-11-23)36(25(37)18-35-33-27(32-34-35)20-4-6-21(29)7-5-20)26(19-12-14-30-15-13-19)28(38)31-17-24-3-2-16-40-24/h4-15,24,26H,2-3,16-18H2,1H3,(H,31,38)
InChIKeyBGNJQWUZQBRDFB-UHFFFAOYSA-N
XLogP3.47
TPSA124.36 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds10
Heavy Atoms40
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500562.03
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze 2-(N-[2-[5-(4-chlorophenyl)tetrazol-2-yl]acetyl]-4-methoxyanilino)-N-(oxolan-2-ylmethyl)-2-pyridin-4-ylacetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(N-[2-[5-(4-chlorophenyl)tetrazol-2-yl]acetyl]-4-methoxyanilino)-N-(oxolan-2-ylmethyl)-2-pyridin-4-ylacetamide?
The IUPAC name of 2-(N-[2-[5-(4-chlorophenyl)tetrazol-2-yl]acetyl]-4-methoxyanilino)-N-(oxolan-2-ylmethyl)-2-pyridin-4-ylacetamide (CID 3180912) is 2-(N-[2-[5-(4-chlorophenyl)tetrazol-2-yl]acetyl]-4-methoxyanilino)-N-(oxolan-2-ylmethyl)-2-pyridin-4-ylacetamide.
What is the SMILES notation for 2-(N-[2-[5-(4-chlorophenyl)tetrazol-2-yl]acetyl]-4-methoxyanilino)-N-(oxolan-2-ylmethyl)-2-pyridin-4-ylacetamide?
The canonical SMILES for 2-(N-[2-[5-(4-chlorophenyl)tetrazol-2-yl]acetyl]-4-methoxyanilino)-N-(oxolan-2-ylmethyl)-2-pyridin-4-ylacetamide is COc1ccc(N(C(=O)Cn2nnc(-c3ccc(Cl)cc3)n2)C(C(=O)NCC2CCCO2)c2ccncc2)cc1.
What is the InChIKey of 2-(N-[2-[5-(4-chlorophenyl)tetrazol-2-yl]acetyl]-4-methoxyanilino)-N-(oxolan-2-ylmethyl)-2-pyridin-4-ylacetamide?
The InChIKey is BGNJQWUZQBRDFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H28ClN7O4/c1-39-23-10-8-22(9-11-23)36(25(37)18-35-33-27(32-34-35)20-4-6-21(29)7-5-20)26(19-12-14-30-15-13-19)28(38)31-17-24-3-2-16-40-24/h4-15,24,26H,2-3,16-18H2,1H3,(H,31,38).
What are the key properties of 2-(N-[2-[5-(4-chlorophenyl)tetrazol-2-yl]acetyl]-4-methoxyanilino)-N-(oxolan-2-ylmethyl)-2-pyridin-4-ylacetamide?
2-(N-[2-[5-(4-chlorophenyl)tetrazol-2-yl]acetyl]-4-methoxyanilino)-N-(oxolan-2-ylmethyl)-2-pyridin-4-ylacetamide has a molecular weight of 562.03 g/mol, XLogP of 3.47, 10 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(N-[2-[5-(4-chlorophenyl)tetrazol-2-yl]acetyl]-4-methoxyanilino)-N-(oxolan-2-ylmethyl)-2-pyridin-4-ylacetamide is sourced from PubChem (CID 3180912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).