N-cyclopentyl-2-(3-fluoro-N-[2-[5-(2-fluorophenyl)tetrazol-2-yl]acetyl]anilino)-2-pyridin-4-ylacetamide

C27H25F2N7O2 — CID 3180500

IUPACN-cyclopentyl-2-(3-fluoro-N-[2-[5-(2-fluorophenyl)tetrazol-2-yl]acetyl]anilino)-2-pyridin-4-ylacetamide
SMILESO=C(NC1CCCC1)C(c1ccncc1)N(C(=O)Cn1nnc(-c2ccccc2F)n1)c1cccc(F)c1
InChIInChI=1S/C27H25F2N7O2/c28-19-6-5-9-21(16-19)36(24(37)17-35-33-26(32-34-35)22-10-3-4-11-23(22)29)25(18-12-14-30-15-13-18)27(38)31-20-7-1-2-8-20/h3-6,9-16,20,25H,1-2,7-8,17H2,(H,31,38)
InChIKeyFCNOVGFTTYTAMM-UHFFFAOYSA-N
MW517.54 g/mol
LogP3.85
Rot. Bonds8

About N-cyclopentyl-2-(3-fluoro-N-[2-[5-(2-fluorophenyl)tetrazol-2-yl]acetyl]anilino)-2-pyridin-4-ylacetamide

N-cyclopentyl-2-(3-fluoro-N-[2-[5-(2-fluorophenyl)tetrazol-2-yl]acetyl]anilino)-2-pyridin-4-ylacetamide (PubChem CID 3180500) has the molecular formula C27H25F2N7O2 and a molecular weight of 517.54 g/mol. Its IUPAC name is N-cyclopentyl-2-(3-fluoro-N-[2-[5-(2-fluorophenyl)tetrazol-2-yl]acetyl]anilino)-2-pyridin-4-ylacetamide.

Molecular Properties

Compound NameN-cyclopentyl-2-(3-fluoro-N-[2-[5-(2-fluorophenyl)tetrazol-2-yl]acetyl]anilino)-2-pyridin-4-ylacetamide
PubChem CID3180500
Molecular FormulaC27H25F2N7O2
Molecular Weight517.54 g/mol
Exact Mass517.20
IUPAC NameN-cyclopentyl-2-(3-fluoro-N-[2-[5-(2-fluorophenyl)tetrazol-2-yl]acetyl]anilino)-2-pyridin-4-ylacetamide
SMILESO=C(NC1CCCC1)C(c1ccncc1)N(C(=O)Cn1nnc(-c2ccccc2F)n1)c1cccc(F)c1
InChIInChI=1S/C27H25F2N7O2/c28-19-6-5-9-21(16-19)36(24(37)17-35-33-26(32-34-35)22-10-3-4-11-23(22)29)25(18-12-14-30-15-13-18)27(38)31-20-7-1-2-8-20/h3-6,9-16,20,25H,1-2,7-8,17H2,(H,31,38)
InChIKeyFCNOVGFTTYTAMM-UHFFFAOYSA-N
XLogP3.85
TPSA105.90 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500517.54
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-2-(3-fluoro-N-[2-[5-(2-fluorophenyl)tetrazol-2-yl]acetyl]anilino)-2-pyridin-4-ylacetamide?
The IUPAC name of N-cyclopentyl-2-(3-fluoro-N-[2-[5-(2-fluorophenyl)tetrazol-2-yl]acetyl]anilino)-2-pyridin-4-ylacetamide (CID 3180500) is N-cyclopentyl-2-(3-fluoro-N-[2-[5-(2-fluorophenyl)tetrazol-2-yl]acetyl]anilino)-2-pyridin-4-ylacetamide.
What is the SMILES notation for N-cyclopentyl-2-(3-fluoro-N-[2-[5-(2-fluorophenyl)tetrazol-2-yl]acetyl]anilino)-2-pyridin-4-ylacetamide?
The canonical SMILES for N-cyclopentyl-2-(3-fluoro-N-[2-[5-(2-fluorophenyl)tetrazol-2-yl]acetyl]anilino)-2-pyridin-4-ylacetamide is O=C(NC1CCCC1)C(c1ccncc1)N(C(=O)Cn1nnc(-c2ccccc2F)n1)c1cccc(F)c1.
What is the InChIKey of N-cyclopentyl-2-(3-fluoro-N-[2-[5-(2-fluorophenyl)tetrazol-2-yl]acetyl]anilino)-2-pyridin-4-ylacetamide?
The InChIKey is FCNOVGFTTYTAMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H25F2N7O2/c28-19-6-5-9-21(16-19)36(24(37)17-35-33-26(32-34-35)22-10-3-4-11-23(22)29)25(18-12-14-30-15-13-18)27(38)31-20-7-1-2-8-20/h3-6,9-16,20,25H,1-2,7-8,17H2,(H,31,38).
What are the key properties of N-cyclopentyl-2-(3-fluoro-N-[2-[5-(2-fluorophenyl)tetrazol-2-yl]acetyl]anilino)-2-pyridin-4-ylacetamide?
N-cyclopentyl-2-(3-fluoro-N-[2-[5-(2-fluorophenyl)tetrazol-2-yl]acetyl]anilino)-2-pyridin-4-ylacetamide has a molecular weight of 517.54 g/mol, XLogP of 3.85, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-2-(3-fluoro-N-[2-[5-(2-fluorophenyl)tetrazol-2-yl]acetyl]anilino)-2-pyridin-4-ylacetamide is sourced from PubChem (CID 3180500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).