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

C25H31N7O2S — CID 647191

IUPACN-cyclohexyl-2-[cyclopentyl-[2-(5-thiophen-2-yltetrazol-2-yl)acetyl]amino]-2-pyridin-4-ylacetamide
SMILESO=C(NC1CCCCC1)C(c1ccncc1)N(C(=O)Cn1nnc(-c2cccs2)n1)C1CCCC1
InChIInChI=1S/C25H31N7O2S/c33-22(17-31-29-24(28-30-31)21-11-6-16-35-21)32(20-9-4-5-10-20)23(18-12-14-26-15-13-18)25(34)27-19-7-2-1-3-8-19/h6,11-16,19-20,23H,1-5,7-10,17H2,(H,27,34)
InChIKeyLVPCQESBABKAFO-UHFFFAOYSA-N
MW493.64 g/mol
LogP3.76
Rot. Bonds8

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

N-cyclohexyl-2-[cyclopentyl-[2-(5-thiophen-2-yltetrazol-2-yl)acetyl]amino]-2-pyridin-4-ylacetamide (PubChem CID 647191) has the molecular formula C25H31N7O2S and a molecular weight of 493.64 g/mol. Its IUPAC name is N-cyclohexyl-2-[cyclopentyl-[2-(5-thiophen-2-yltetrazol-2-yl)acetyl]amino]-2-pyridin-4-ylacetamide.

Molecular Properties

Compound NameN-cyclohexyl-2-[cyclopentyl-[2-(5-thiophen-2-yltetrazol-2-yl)acetyl]amino]-2-pyridin-4-ylacetamide
PubChem CID647191
Molecular FormulaC25H31N7O2S
Molecular Weight493.64 g/mol
Exact Mass493.23
IUPAC NameN-cyclohexyl-2-[cyclopentyl-[2-(5-thiophen-2-yltetrazol-2-yl)acetyl]amino]-2-pyridin-4-ylacetamide
SMILESO=C(NC1CCCCC1)C(c1ccncc1)N(C(=O)Cn1nnc(-c2cccs2)n1)C1CCCC1
InChIInChI=1S/C25H31N7O2S/c33-22(17-31-29-24(28-30-31)21-11-6-16-35-21)32(20-9-4-5-10-20)23(18-12-14-26-15-13-18)25(34)27-19-7-2-1-3-8-19/h6,11-16,19-20,23H,1-5,7-10,17H2,(H,27,34)
InChIKeyLVPCQESBABKAFO-UHFFFAOYSA-N
XLogP3.76
TPSA105.90 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500493.64
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-2-[cyclopentyl-[2-(5-thiophen-2-yltetrazol-2-yl)acetyl]amino]-2-pyridin-4-ylacetamide?
The IUPAC name of N-cyclohexyl-2-[cyclopentyl-[2-(5-thiophen-2-yltetrazol-2-yl)acetyl]amino]-2-pyridin-4-ylacetamide (CID 647191) is N-cyclohexyl-2-[cyclopentyl-[2-(5-thiophen-2-yltetrazol-2-yl)acetyl]amino]-2-pyridin-4-ylacetamide.
What is the SMILES notation for N-cyclohexyl-2-[cyclopentyl-[2-(5-thiophen-2-yltetrazol-2-yl)acetyl]amino]-2-pyridin-4-ylacetamide?
The canonical SMILES for N-cyclohexyl-2-[cyclopentyl-[2-(5-thiophen-2-yltetrazol-2-yl)acetyl]amino]-2-pyridin-4-ylacetamide is O=C(NC1CCCCC1)C(c1ccncc1)N(C(=O)Cn1nnc(-c2cccs2)n1)C1CCCC1.
What is the InChIKey of N-cyclohexyl-2-[cyclopentyl-[2-(5-thiophen-2-yltetrazol-2-yl)acetyl]amino]-2-pyridin-4-ylacetamide?
The InChIKey is LVPCQESBABKAFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31N7O2S/c33-22(17-31-29-24(28-30-31)21-11-6-16-35-21)32(20-9-4-5-10-20)23(18-12-14-26-15-13-18)25(34)27-19-7-2-1-3-8-19/h6,11-16,19-20,23H,1-5,7-10,17H2,(H,27,34).
What are the key properties of N-cyclohexyl-2-[cyclopentyl-[2-(5-thiophen-2-yltetrazol-2-yl)acetyl]amino]-2-pyridin-4-ylacetamide?
N-cyclohexyl-2-[cyclopentyl-[2-(5-thiophen-2-yltetrazol-2-yl)acetyl]amino]-2-pyridin-4-ylacetamide has a molecular weight of 493.64 g/mol, XLogP of 3.76, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-2-[cyclopentyl-[2-(5-thiophen-2-yltetrazol-2-yl)acetyl]amino]-2-pyridin-4-ylacetamide is sourced from PubChem (CID 647191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).