N-[3-[6-amino-5-[1-(2,3-difluorophenyl)tetrazol-5-yl]-3-pyridinyl]phenyl]-2-hydroxyacetamide

C20H15F2N7O2 — CID 174678478

IUPACN-[3-[6-amino-5-[1-(2,3-difluorophenyl)tetrazol-5-yl]-3-pyridinyl]phenyl]-2-hydroxyacetamide
SMILESNc1ncc(-c2cccc(NC(=O)CO)c2)cc1-c1nnnn1-c1cccc(F)c1F
InChIInChI=1S/C20H15F2N7O2/c21-15-5-2-6-16(18(15)22)29-20(26-27-28-29)14-8-12(9-24-19(14)23)11-3-1-4-13(7-11)25-17(31)10-30/h1-9,30H,10H2,(H2,23,24)(H,25,31)
InChIKeyRRRWVAGWFYZQJG-UHFFFAOYSA-N
MW423.38 g/mol
LogP2.18
Rot. Bonds5

About N-[3-[6-amino-5-[1-(2,3-difluorophenyl)tetrazol-5-yl]-3-pyridinyl]phenyl]-2-hydroxyacetamide

N-[3-[6-amino-5-[1-(2,3-difluorophenyl)tetrazol-5-yl]-3-pyridinyl]phenyl]-2-hydroxyacetamide (PubChem CID 174678478) has the molecular formula C20H15F2N7O2 and a molecular weight of 423.38 g/mol. Its IUPAC name is N-[3-[6-amino-5-[1-(2,3-difluorophenyl)tetrazol-5-yl]-3-pyridinyl]phenyl]-2-hydroxyacetamide.

Molecular Properties

Compound NameN-[3-[6-amino-5-[1-(2,3-difluorophenyl)tetrazol-5-yl]-3-pyridinyl]phenyl]-2-hydroxyacetamide
PubChem CID174678478
Molecular FormulaC20H15F2N7O2
Molecular Weight423.38 g/mol
Exact Mass423.13
IUPAC NameN-[3-[6-amino-5-[1-(2,3-difluorophenyl)tetrazol-5-yl]-3-pyridinyl]phenyl]-2-hydroxyacetamide
SMILESNc1ncc(-c2cccc(NC(=O)CO)c2)cc1-c1nnnn1-c1cccc(F)c1F
InChIInChI=1S/C20H15F2N7O2/c21-15-5-2-6-16(18(15)22)29-20(26-27-28-29)14-8-12(9-24-19(14)23)11-3-1-4-13(7-11)25-17(31)10-30/h1-9,30H,10H2,(H2,23,24)(H,25,31)
InChIKeyRRRWVAGWFYZQJG-UHFFFAOYSA-N
XLogP2.18
TPSA131.84 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.38
LogP ≤ 52.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[3-[6-amino-5-[1-(2,3-difluorophenyl)tetrazol-5-yl]-3-pyridinyl]phenyl]-2-hydroxyacetamide?
The IUPAC name of N-[3-[6-amino-5-[1-(2,3-difluorophenyl)tetrazol-5-yl]-3-pyridinyl]phenyl]-2-hydroxyacetamide (CID 174678478) is N-[3-[6-amino-5-[1-(2,3-difluorophenyl)tetrazol-5-yl]-3-pyridinyl]phenyl]-2-hydroxyacetamide.
What is the SMILES notation for N-[3-[6-amino-5-[1-(2,3-difluorophenyl)tetrazol-5-yl]-3-pyridinyl]phenyl]-2-hydroxyacetamide?
The canonical SMILES for N-[3-[6-amino-5-[1-(2,3-difluorophenyl)tetrazol-5-yl]-3-pyridinyl]phenyl]-2-hydroxyacetamide is Nc1ncc(-c2cccc(NC(=O)CO)c2)cc1-c1nnnn1-c1cccc(F)c1F.
What is the InChIKey of N-[3-[6-amino-5-[1-(2,3-difluorophenyl)tetrazol-5-yl]-3-pyridinyl]phenyl]-2-hydroxyacetamide?
The InChIKey is RRRWVAGWFYZQJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15F2N7O2/c21-15-5-2-6-16(18(15)22)29-20(26-27-28-29)14-8-12(9-24-19(14)23)11-3-1-4-13(7-11)25-17(31)10-30/h1-9,30H,10H2,(H2,23,24)(H,25,31).
What are the key properties of N-[3-[6-amino-5-[1-(2,3-difluorophenyl)tetrazol-5-yl]-3-pyridinyl]phenyl]-2-hydroxyacetamide?
N-[3-[6-amino-5-[1-(2,3-difluorophenyl)tetrazol-5-yl]-3-pyridinyl]phenyl]-2-hydroxyacetamide has a molecular weight of 423.38 g/mol, XLogP of 2.18, 5 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[6-amino-5-[1-(2,3-difluorophenyl)tetrazol-5-yl]-3-pyridinyl]phenyl]-2-hydroxyacetamide is sourced from PubChem (CID 174678478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).