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

C22H19F2N7O — CID 58179659

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

N-[3-[6-amino-5-[1-(2,3-difluorophenyl)tetrazol-5-yl]-3-pyridinyl]phenyl]-2-methylpropanamide (PubChem CID 58179659) has the molecular formula C22H19F2N7O and a molecular weight of 435.44 g/mol. Its IUPAC name is N-[3-[6-amino-5-[1-(2,3-difluorophenyl)tetrazol-5-yl]-3-pyridinyl]phenyl]-2-methylpropanamide.

Molecular Properties

• Compound Name: N-[3-[6-amino-5-[1-(2,3-difluorophenyl)tetrazol-5-yl]-3-pyridinyl]phenyl]-2-methylpropanamide
• PubChem CID: 58179659
• Molecular Formula: C22H19F2N7O
• Molecular Weight: 435.44 g/mol
• Exact Mass: 435.16
• IUPAC Name: N-[3-[6-amino-5-[1-(2,3-difluorophenyl)tetrazol-5-yl]-3-pyridinyl]phenyl]-2-methylpropanamide
• SMILES: CC(C)C(=O)Nc1cccc(-c2cnc(N)c(-c3nnnn3-c3cccc(F)c3F)c2)c1
• InChI: InChI=1S/C22H19F2N7O/c1-12(2)22(32)27-15-6-3-5-13(9-15)14-10-16(20(25)26-11-14)21-28-29-30-31(21)18-8-4-7-17(23)19(18)24/h3-12H,1-2H3,(H2,25,26)(H,27,32)
• InChIKey: QMJLHRHARQNDMV-UHFFFAOYSA-N
• XLogP: 3.85
• TPSA: 111.61 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	435.44
LogP ≤ 5	3.85
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

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-methylpropanamide?

The IUPAC name of N-[3-[6-amino-5-[1-(2,3-difluorophenyl)tetrazol-5-yl]-3-pyridinyl]phenyl]-2-methylpropanamide (CID 58179659) is N-[3-[6-amino-5-[1-(2,3-difluorophenyl)tetrazol-5-yl]-3-pyridinyl]phenyl]-2-methylpropanamide.

What is the SMILES notation for N-[3-[6-amino-5-[1-(2,3-difluorophenyl)tetrazol-5-yl]-3-pyridinyl]phenyl]-2-methylpropanamide?

The canonical SMILES for N-[3-[6-amino-5-[1-(2,3-difluorophenyl)tetrazol-5-yl]-3-pyridinyl]phenyl]-2-methylpropanamide is CC(C)C(=O)Nc1cccc(-c2cnc(N)c(-c3nnnn3-c3cccc(F)c3F)c2)c1.

What is the InChIKey of N-[3-[6-amino-5-[1-(2,3-difluorophenyl)tetrazol-5-yl]-3-pyridinyl]phenyl]-2-methylpropanamide?

The InChIKey is QMJLHRHARQNDMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19F2N7O/c1-12(2)22(32)27-15-6-3-5-13(9-15)14-10-16(20(25)26-11-14)21-28-29-30-31(21)18-8-4-7-17(23)19(18)24/h3-12H,1-2H3,(H2,25,26)(H,27,32).

What are the key properties of N-[3-[6-amino-5-[1-(2,3-difluorophenyl)tetrazol-5-yl]-3-pyridinyl]phenyl]-2-methylpropanamide?

N-[3-[6-amino-5-[1-(2,3-difluorophenyl)tetrazol-5-yl]-3-pyridinyl]phenyl]-2-methylpropanamide has a molecular weight of 435.44 g/mol, XLogP of 3.85, 5 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-(2,3-difluorophenyl)tetrazol-5-yl]-3-pyridinyl]phenyl]-2-methylpropanamide is sourced from PubChem (CID 58179659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).