2-[benzyl-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]amino]-N-tert-butyl-2-pyridin-4-ylacetamide

C26H29N7O3 — CID 652485

IUPAC2-[benzyl-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]amino]-N-tert-butyl-2-pyridin-4-ylacetamide
SMILESCc1ccc(-c2nnn(CC(=O)N(Cc3ccccc3)C(C(=O)NC(C)(C)C)c3ccncc3)n2)o1
InChIInChI=1S/C26H29N7O3/c1-18-10-11-21(36-18)24-29-31-33(30-24)17-22(34)32(16-19-8-6-5-7-9-19)23(20-12-14-27-15-13-20)25(35)28-26(2,3)4/h5-15,23H,16-17H2,1-4H3,(H,28,35)
InChIKeyJGQOMYVLYFZKMO-UHFFFAOYSA-N
MW487.56 g/mol
LogP3.32
Rot. Bonds8

About 2-[benzyl-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]amino]-N-tert-butyl-2-pyridin-4-ylacetamide

2-[benzyl-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]amino]-N-tert-butyl-2-pyridin-4-ylacetamide (PubChem CID 652485) has the molecular formula C26H29N7O3 and a molecular weight of 487.56 g/mol. Its IUPAC name is 2-[benzyl-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]amino]-N-tert-butyl-2-pyridin-4-ylacetamide.

Molecular Properties

Compound Name2-[benzyl-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]amino]-N-tert-butyl-2-pyridin-4-ylacetamide
PubChem CID652485
Molecular FormulaC26H29N7O3
Molecular Weight487.56 g/mol
Exact Mass487.23
IUPAC Name2-[benzyl-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]amino]-N-tert-butyl-2-pyridin-4-ylacetamide
SMILESCc1ccc(-c2nnn(CC(=O)N(Cc3ccccc3)C(C(=O)NC(C)(C)C)c3ccncc3)n2)o1
InChIInChI=1S/C26H29N7O3/c1-18-10-11-21(36-18)24-29-31-33(30-24)17-22(34)32(16-19-8-6-5-7-9-19)23(20-12-14-27-15-13-20)25(35)28-26(2,3)4/h5-15,23H,16-17H2,1-4H3,(H,28,35)
InChIKeyJGQOMYVLYFZKMO-UHFFFAOYSA-N
XLogP3.32
TPSA119.04 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500487.56
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

N-[3-({5-[2-(3-hydroxypropyl)-2H-tetrazol-5-yl]pyridin-3-yl}ethynyl)phenyl]-3-methyl-2-furamide
CID 121268893
2-(Benzyl-{2-[5-(5-methyl-furan-2-yl)-tetrazol-2-yl]-acetyl}-amino)-N-cyclopentyl-2-pyridin-4-yl-acetamide
CID 644684
{4-[(1-tert-Butyl-1H-tetrazol-5-yl)-pyridin-3-yl-methyl]-piperazin-1-yl}-furan-2-yl-methanone
CID 651632
3-[(1-Cyclopentyl-1H-tetrazol-5-yl)-(furan-2-ylmethyl-pyridin-3-ylmethyl-amino)-methyl]-6-methyl-1H-quinolin-2-one
CID 652016
2-[5-(5-Methyl-furan-2-yl)-tetrazol-2-yl]-N-quinolin-8-yl-acetamide
CID 653212
N-Cyclohexylcarbamoylmethyl-2-[5-(5-methyl-furan-2-yl)-tetrazol-2-yl]-N-quinolin-3-yl-acetamide
CID 655643
N-[2-(cyclohexylamino)-2-oxoethyl]-2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]-N-(3-methylphenyl)acetamide
CID 1153911
N-[2-(cyclohexylamino)-2-oxoethyl]-2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]-N-(4-methylphenyl)acetamide
CID 1153917
N-cyclopentyl-2-[3-hydroxypropyl-[2-[5-(4-methoxyphenyl)tetrazol-2-yl]acetyl]amino]-2-pyridin-4-ylacetamide
CID 3180443
N-Cyclopentyl-2-((2-fluoro-benzyl)-{2-[5-(5-methyl-furan-2-yl)-tetrazol-2-yl]-acetyl}-amino)-2-pyridin-4-yl-acetamide
CID 3180457
N-Cyclopentyl-2-((4-fluoro-benzyl)-{2-[5-(5-methyl-furan-2-yl)-tetrazol-2-yl]-acetyl}-amino)-2-pyridin-4-yl-acetamide
CID 3180459
N-Cyclopentyl-2-({2-[5-(5-methyl-furan-2-yl)-tetrazol-2-yl]-acetyl}-p-tolyl-amino)-2-pyridin-4-yl-acetamide
CID 3180486

Frequently Asked Questions

What is the IUPAC name of 2-[benzyl-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]amino]-N-tert-butyl-2-pyridin-4-ylacetamide?
The IUPAC name of 2-[benzyl-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]amino]-N-tert-butyl-2-pyridin-4-ylacetamide (CID 652485) is 2-[benzyl-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]amino]-N-tert-butyl-2-pyridin-4-ylacetamide.
What is the SMILES notation for 2-[benzyl-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]amino]-N-tert-butyl-2-pyridin-4-ylacetamide?
The canonical SMILES for 2-[benzyl-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]amino]-N-tert-butyl-2-pyridin-4-ylacetamide is Cc1ccc(-c2nnn(CC(=O)N(Cc3ccccc3)C(C(=O)NC(C)(C)C)c3ccncc3)n2)o1.
What is the InChIKey of 2-[benzyl-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]amino]-N-tert-butyl-2-pyridin-4-ylacetamide?
The InChIKey is JGQOMYVLYFZKMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29N7O3/c1-18-10-11-21(36-18)24-29-31-33(30-24)17-22(34)32(16-19-8-6-5-7-9-19)23(20-12-14-27-15-13-20)25(35)28-26(2,3)4/h5-15,23H,16-17H2,1-4H3,(H,28,35).
What are the key properties of 2-[benzyl-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]amino]-N-tert-butyl-2-pyridin-4-ylacetamide?
2-[benzyl-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]amino]-N-tert-butyl-2-pyridin-4-ylacetamide has a molecular weight of 487.56 g/mol, XLogP of 3.32, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[benzyl-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]amino]-N-tert-butyl-2-pyridin-4-ylacetamide is sourced from PubChem (CID 652485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).