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

C20H15F2N7O — CID 58180045

IUPACN-[3-[6-amino-5-[1-(3,5-difluorophenyl)tetrazol-5-yl]-3-pyridinyl]phenyl]acetamide
SMILESCC(=O)Nc1cccc(-c2cnc(N)c(-c3nnnn3-c3cc(F)cc(F)c3)c2)c1
InChIInChI=1S/C20H15F2N7O/c1-11(30)25-16-4-2-3-12(5-16)13-6-18(19(23)24-10-13)20-26-27-28-29(20)17-8-14(21)7-15(22)9-17/h2-10H,1H3,(H2,23,24)(H,25,30)
InChIKeyVONXEVXOZZANMT-UHFFFAOYSA-N
MW407.38 g/mol
LogP3.21
Rot. Bonds4

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

N-[3-[6-amino-5-[1-(3,5-difluorophenyl)tetrazol-5-yl]-3-pyridinyl]phenyl]acetamide (PubChem CID 58180045) has the molecular formula C20H15F2N7O and a molecular weight of 407.38 g/mol. Its IUPAC name is N-[3-[6-amino-5-[1-(3,5-difluorophenyl)tetrazol-5-yl]-3-pyridinyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[3-[6-amino-5-[1-(3,5-difluorophenyl)tetrazol-5-yl]-3-pyridinyl]phenyl]acetamide
PubChem CID58180045
Molecular FormulaC20H15F2N7O
Molecular Weight407.38 g/mol
Exact Mass407.13
IUPAC NameN-[3-[6-amino-5-[1-(3,5-difluorophenyl)tetrazol-5-yl]-3-pyridinyl]phenyl]acetamide
SMILESCC(=O)Nc1cccc(-c2cnc(N)c(-c3nnnn3-c3cc(F)cc(F)c3)c2)c1
InChIInChI=1S/C20H15F2N7O/c1-11(30)25-16-4-2-3-12(5-16)13-6-18(19(23)24-10-13)20-26-27-28-29(20)17-8-14(21)7-15(22)9-17/h2-10H,1H3,(H2,23,24)(H,25,30)
InChIKeyVONXEVXOZZANMT-UHFFFAOYSA-N
XLogP3.21
TPSA111.61 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.38
LogP ≤ 53.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-[3-[6-amino-5-[1-(3-chlorophenyl)tetrazol-5-yl]-3-pyridinyl]phenyl]acetamide
CID 58179765
N-[3-[6-amino-5-[1-(2,3-difluorophenyl)tetrazol-5-yl]-3-pyridinyl]phenyl]-2-methylpropanamide
CID 58179659
N-[3-[6-amino-5-[1-(2,3-difluorophenyl)tetrazol-5-yl]-3-pyridinyl]phenyl]-2-hydroxyacetamide
CID 174678478
N-[4-[6-amino-5-[1-(2,3-difluorophenyl)tetrazol-5-yl]-3-pyridinyl]-2-fluorophenyl]acetamide
CID 58180071
3-[1-(3,5-difluorophenyl)tetrazol-5-yl]-5-[4-[(dimethylamino)methyl]phenyl]pyridin-2-amine
CID 58180023
2-methoxyethyl N-[4-[6-amino-5-[1-(2,3-difluorophenyl)tetrazol-5-yl]-3-pyridinyl]phenyl]carbamate
CID 58179951
3-[1-(2,3-difluorophenyl)tetrazol-5-yl]-5-(3-ethoxyphenyl)pyridin-2-amine
CID 58179668
3-[1-(2,3-difluorophenyl)tetrazol-5-yl]-5-(3-propan-2-ylphenyl)pyridin-2-amine
CID 58179707
1-[3-[6-amino-5-[1-(2,3-difluorophenyl)tetrazol-5-yl]-3-pyridinyl]phenyl]-3,3-dimethylazetidin-2-one
CID 58180007
3-[1-(2,3-difluorophenyl)tetrazol-5-yl]-5-(3,4-dimethoxyphenyl)pyridin-2-amine
CID 58180024
3-[1-(2,3-dichlorophenyl)tetrazol-5-yl]-5-[3-(pyrrolidin-1-ylmethyl)phenyl]pyridin-2-amine
CID 58179742
3-[1-(2,6-dichlorophenyl)tetrazol-5-yl]-5-pyridin-3-ylpyridin-2-amine
CID 58179501

Frequently Asked Questions

What is the IUPAC name of N-[3-[6-amino-5-[1-(3,5-difluorophenyl)tetrazol-5-yl]-3-pyridinyl]phenyl]acetamide?
The IUPAC name of N-[3-[6-amino-5-[1-(3,5-difluorophenyl)tetrazol-5-yl]-3-pyridinyl]phenyl]acetamide (CID 58180045) is N-[3-[6-amino-5-[1-(3,5-difluorophenyl)tetrazol-5-yl]-3-pyridinyl]phenyl]acetamide.
What is the SMILES notation for N-[3-[6-amino-5-[1-(3,5-difluorophenyl)tetrazol-5-yl]-3-pyridinyl]phenyl]acetamide?
The canonical SMILES for N-[3-[6-amino-5-[1-(3,5-difluorophenyl)tetrazol-5-yl]-3-pyridinyl]phenyl]acetamide is CC(=O)Nc1cccc(-c2cnc(N)c(-c3nnnn3-c3cc(F)cc(F)c3)c2)c1.
What is the InChIKey of N-[3-[6-amino-5-[1-(3,5-difluorophenyl)tetrazol-5-yl]-3-pyridinyl]phenyl]acetamide?
The InChIKey is VONXEVXOZZANMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15F2N7O/c1-11(30)25-16-4-2-3-12(5-16)13-6-18(19(23)24-10-13)20-26-27-28-29(20)17-8-14(21)7-15(22)9-17/h2-10H,1H3,(H2,23,24)(H,25,30).
What are the key properties of N-[3-[6-amino-5-[1-(3,5-difluorophenyl)tetrazol-5-yl]-3-pyridinyl]phenyl]acetamide?
N-[3-[6-amino-5-[1-(3,5-difluorophenyl)tetrazol-5-yl]-3-pyridinyl]phenyl]acetamide has a molecular weight of 407.38 g/mol, XLogP of 3.21, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[6-amino-5-[1-(3,5-difluorophenyl)tetrazol-5-yl]-3-pyridinyl]phenyl]acetamide is sourced from PubChem (CID 58180045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).