N-cyclopentyl-2-(4-methyl-N-[2-(5-thiophen-2-yltetrazol-2-yl)acetyl]anilino)-2-pyridin-4-ylacetamide

C26H27N7O2S — CID 3190145

IUPACN-cyclopentyl-2-(4-methyl-N-[2-(5-thiophen-2-yltetrazol-2-yl)acetyl]anilino)-2-pyridin-4-ylacetamide
SMILESCc1ccc(N(C(=O)Cn2nnc(-c3cccs3)n2)C(C(=O)NC2CCCC2)c2ccncc2)cc1
InChIInChI=1S/C26H27N7O2S/c1-18-8-10-21(11-9-18)33(23(34)17-32-30-25(29-31-32)22-7-4-16-36-22)24(19-12-14-27-15-13-19)26(35)28-20-5-2-3-6-20/h4,7-16,20,24H,2-3,5-6,17H2,1H3,(H,28,35)
InChIKeyMQHZHQDRRSTOSU-UHFFFAOYSA-N
MW501.62 g/mol
LogP3.94
Rot. Bonds8

About N-cyclopentyl-2-(4-methyl-N-[2-(5-thiophen-2-yltetrazol-2-yl)acetyl]anilino)-2-pyridin-4-ylacetamide

N-cyclopentyl-2-(4-methyl-N-[2-(5-thiophen-2-yltetrazol-2-yl)acetyl]anilino)-2-pyridin-4-ylacetamide (PubChem CID 3190145) has the molecular formula C26H27N7O2S and a molecular weight of 501.62 g/mol. Its IUPAC name is N-cyclopentyl-2-(4-methyl-N-[2-(5-thiophen-2-yltetrazol-2-yl)acetyl]anilino)-2-pyridin-4-ylacetamide.

Molecular Properties

Compound NameN-cyclopentyl-2-(4-methyl-N-[2-(5-thiophen-2-yltetrazol-2-yl)acetyl]anilino)-2-pyridin-4-ylacetamide
PubChem CID3190145
Molecular FormulaC26H27N7O2S
Molecular Weight501.62 g/mol
Exact Mass501.19
IUPAC NameN-cyclopentyl-2-(4-methyl-N-[2-(5-thiophen-2-yltetrazol-2-yl)acetyl]anilino)-2-pyridin-4-ylacetamide
SMILESCc1ccc(N(C(=O)Cn2nnc(-c3cccs3)n2)C(C(=O)NC2CCCC2)c2ccncc2)cc1
InChIInChI=1S/C26H27N7O2S/c1-18-8-10-21(11-9-18)33(23(34)17-32-30-25(29-31-32)22-7-4-16-36-22)24(19-12-14-27-15-13-19)26(35)28-20-5-2-3-6-20/h4,7-16,20,24H,2-3,5-6,17H2,1H3,(H,28,35)
InChIKeyMQHZHQDRRSTOSU-UHFFFAOYSA-N
XLogP3.94
TPSA105.90 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500501.62
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-2-(4-methyl-N-[2-(5-thiophen-2-yltetrazol-2-yl)acetyl]anilino)-2-pyridin-4-ylacetamide?
The IUPAC name of N-cyclopentyl-2-(4-methyl-N-[2-(5-thiophen-2-yltetrazol-2-yl)acetyl]anilino)-2-pyridin-4-ylacetamide (CID 3190145) is N-cyclopentyl-2-(4-methyl-N-[2-(5-thiophen-2-yltetrazol-2-yl)acetyl]anilino)-2-pyridin-4-ylacetamide.
What is the SMILES notation for N-cyclopentyl-2-(4-methyl-N-[2-(5-thiophen-2-yltetrazol-2-yl)acetyl]anilino)-2-pyridin-4-ylacetamide?
The canonical SMILES for N-cyclopentyl-2-(4-methyl-N-[2-(5-thiophen-2-yltetrazol-2-yl)acetyl]anilino)-2-pyridin-4-ylacetamide is Cc1ccc(N(C(=O)Cn2nnc(-c3cccs3)n2)C(C(=O)NC2CCCC2)c2ccncc2)cc1.
What is the InChIKey of N-cyclopentyl-2-(4-methyl-N-[2-(5-thiophen-2-yltetrazol-2-yl)acetyl]anilino)-2-pyridin-4-ylacetamide?
The InChIKey is MQHZHQDRRSTOSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27N7O2S/c1-18-8-10-21(11-9-18)33(23(34)17-32-30-25(29-31-32)22-7-4-16-36-22)24(19-12-14-27-15-13-19)26(35)28-20-5-2-3-6-20/h4,7-16,20,24H,2-3,5-6,17H2,1H3,(H,28,35).
What are the key properties of N-cyclopentyl-2-(4-methyl-N-[2-(5-thiophen-2-yltetrazol-2-yl)acetyl]anilino)-2-pyridin-4-ylacetamide?
N-cyclopentyl-2-(4-methyl-N-[2-(5-thiophen-2-yltetrazol-2-yl)acetyl]anilino)-2-pyridin-4-ylacetamide has a molecular weight of 501.62 g/mol, XLogP of 3.94, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-2-(4-methyl-N-[2-(5-thiophen-2-yltetrazol-2-yl)acetyl]anilino)-2-pyridin-4-ylacetamide is sourced from PubChem (CID 3190145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).