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

C20H16ClN7O — CID 58179765

IUPACN-[3-[6-amino-5-[1-(3-chlorophenyl)tetrazol-5-yl]-3-pyridinyl]phenyl]acetamide
SMILESCC(=O)Nc1cccc(-c2cnc(N)c(-c3nnnn3-c3cccc(Cl)c3)c2)c1
InChIInChI=1S/C20H16ClN7O/c1-12(29)24-16-6-2-4-13(8-16)14-9-18(19(22)23-11-14)20-25-26-27-28(20)17-7-3-5-15(21)10-17/h2-11H,1H3,(H2,22,23)(H,24,29)
InChIKeyTUCLGJCKDVKNSZ-UHFFFAOYSA-N
MW405.85 g/mol
LogP3.59
Rot. Bonds4

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

N-[3-[6-amino-5-[1-(3-chlorophenyl)tetrazol-5-yl]-3-pyridinyl]phenyl]acetamide (PubChem CID 58179765) has the molecular formula C20H16ClN7O and a molecular weight of 405.85 g/mol. Its IUPAC name is N-[3-[6-amino-5-[1-(3-chlorophenyl)tetrazol-5-yl]-3-pyridinyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[3-[6-amino-5-[1-(3-chlorophenyl)tetrazol-5-yl]-3-pyridinyl]phenyl]acetamide
PubChem CID58179765
Molecular FormulaC20H16ClN7O
Molecular Weight405.85 g/mol
Exact Mass405.11
IUPAC NameN-[3-[6-amino-5-[1-(3-chlorophenyl)tetrazol-5-yl]-3-pyridinyl]phenyl]acetamide
SMILESCC(=O)Nc1cccc(-c2cnc(N)c(-c3nnnn3-c3cccc(Cl)c3)c2)c1
InChIInChI=1S/C20H16ClN7O/c1-12(29)24-16-6-2-4-13(8-16)14-9-18(19(22)23-11-14)20-25-26-27-28(20)17-7-3-5-15(21)10-17/h2-11H,1H3,(H2,22,23)(H,24,29)
InChIKeyTUCLGJCKDVKNSZ-UHFFFAOYSA-N
XLogP3.59
TPSA111.61 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.85
LogP ≤ 53.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-[3-[6-amino-5-[1-(3,5-difluorophenyl)tetrazol-5-yl]-3-pyridinyl]phenyl]acetamide
CID 58180045
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
5-chloro-2-[1-(3-chlorophenyl)tetrazol-5-yl]aniline
CID 61352846
1-(3-chlorophenyl)-5-phenyltetrazole
CID 854387
3-[1-(2,6-dichlorophenyl)tetrazol-5-yl]-5-pyridin-3-ylpyridin-2-amine
CID 58179501
3-[1-(5-chloro-2-fluorophenyl)tetrazol-5-yl]-5-pyridin-3-ylpyridin-2-amine
CID 58179748
3-[1-(2,3-dichlorophenyl)tetrazol-5-yl]-5-[3-(pyrrolidin-1-ylmethyl)phenyl]pyridin-2-amine
CID 58179742
2-(3-chlorophenoxy)-N-[3-(1-methyltetrazol-5-yl)phenyl]acetamide
CID 26122962
2-[1-(3-chlorophenyl)tetrazol-5-yl]-3-methylaniline
CID 61353438
3-chloro-N-[3-(1-methyltetrazol-5-yl)phenyl]benzamide
CID 30414116

Frequently Asked Questions

What is the IUPAC name of N-[3-[6-amino-5-[1-(3-chlorophenyl)tetrazol-5-yl]-3-pyridinyl]phenyl]acetamide?
The IUPAC name of N-[3-[6-amino-5-[1-(3-chlorophenyl)tetrazol-5-yl]-3-pyridinyl]phenyl]acetamide (CID 58179765) is N-[3-[6-amino-5-[1-(3-chlorophenyl)tetrazol-5-yl]-3-pyridinyl]phenyl]acetamide.
What is the SMILES notation for N-[3-[6-amino-5-[1-(3-chlorophenyl)tetrazol-5-yl]-3-pyridinyl]phenyl]acetamide?
The canonical SMILES for N-[3-[6-amino-5-[1-(3-chlorophenyl)tetrazol-5-yl]-3-pyridinyl]phenyl]acetamide is CC(=O)Nc1cccc(-c2cnc(N)c(-c3nnnn3-c3cccc(Cl)c3)c2)c1.
What is the InChIKey of N-[3-[6-amino-5-[1-(3-chlorophenyl)tetrazol-5-yl]-3-pyridinyl]phenyl]acetamide?
The InChIKey is TUCLGJCKDVKNSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16ClN7O/c1-12(29)24-16-6-2-4-13(8-16)14-9-18(19(22)23-11-14)20-25-26-27-28(20)17-7-3-5-15(21)10-17/h2-11H,1H3,(H2,22,23)(H,24,29).
What are the key properties of N-[3-[6-amino-5-[1-(3-chlorophenyl)tetrazol-5-yl]-3-pyridinyl]phenyl]acetamide?
N-[3-[6-amino-5-[1-(3-chlorophenyl)tetrazol-5-yl]-3-pyridinyl]phenyl]acetamide has a molecular weight of 405.85 g/mol, XLogP of 3.59, 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-chlorophenyl)tetrazol-5-yl]-3-pyridinyl]phenyl]acetamide is sourced from PubChem (CID 58179765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).