N-[3-[6-amino-5-[4-(2,3-difluorophenyl)-1,2,4-triazol-3-yl]-3-pyridinyl]-2-pyridinyl]-2,2-dimethylpropanamide

C23H21F2N7O — CID 24762382

IUPACN-[3-[6-amino-5-[4-(2,3-difluorophenyl)-1,2,4-triazol-3-yl]-3-pyridinyl]-2-pyridinyl]-2,2-dimethylpropanamide
SMILESCC(C)(C)C(=O)Nc1ncccc1-c1cnc(N)c(-c2nncn2-c2cccc(F)c2F)c1
InChIInChI=1S/C23H21F2N7O/c1-23(2,3)22(33)30-20-14(6-5-9-27-20)13-10-15(19(26)28-11-13)21-31-29-12-32(21)17-8-4-7-16(24)18(17)25/h4-12H,1-3H3,(H2,26,28)(H,27,30,33)
InChIKeyCKFHHKHNRQEMNR-UHFFFAOYSA-N
MW449.47 g/mol
LogP4.24
Rot. Bonds4

About N-[3-[6-amino-5-[4-(2,3-difluorophenyl)-1,2,4-triazol-3-yl]-3-pyridinyl]-2-pyridinyl]-2,2-dimethylpropanamide

N-[3-[6-amino-5-[4-(2,3-difluorophenyl)-1,2,4-triazol-3-yl]-3-pyridinyl]-2-pyridinyl]-2,2-dimethylpropanamide (PubChem CID 24762382) has the molecular formula C23H21F2N7O and a molecular weight of 449.47 g/mol. Its IUPAC name is N-[3-[6-amino-5-[4-(2,3-difluorophenyl)-1,2,4-triazol-3-yl]-3-pyridinyl]-2-pyridinyl]-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-[3-[6-amino-5-[4-(2,3-difluorophenyl)-1,2,4-triazol-3-yl]-3-pyridinyl]-2-pyridinyl]-2,2-dimethylpropanamide
PubChem CID24762382
Molecular FormulaC23H21F2N7O
Molecular Weight449.47 g/mol
Exact Mass449.18
IUPAC NameN-[3-[6-amino-5-[4-(2,3-difluorophenyl)-1,2,4-triazol-3-yl]-3-pyridinyl]-2-pyridinyl]-2,2-dimethylpropanamide
SMILESCC(C)(C)C(=O)Nc1ncccc1-c1cnc(N)c(-c2nncn2-c2cccc(F)c2F)c1
InChIInChI=1S/C23H21F2N7O/c1-23(2,3)22(33)30-20-14(6-5-9-27-20)13-10-15(19(26)28-11-13)21-31-29-12-32(21)17-8-4-7-16(24)18(17)25/h4-12H,1-3H3,(H2,26,28)(H,27,30,33)
InChIKeyCKFHHKHNRQEMNR-UHFFFAOYSA-N
XLogP4.24
TPSA111.61 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.47
LogP ≤ 54.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[3-[6-amino-5-[4-(2,3-difluorophenyl)-1,2,4-triazol-3-yl]-3-pyridinyl]-2-pyridinyl]-2,2-dimethylpropanamide?
The IUPAC name of N-[3-[6-amino-5-[4-(2,3-difluorophenyl)-1,2,4-triazol-3-yl]-3-pyridinyl]-2-pyridinyl]-2,2-dimethylpropanamide (CID 24762382) is N-[3-[6-amino-5-[4-(2,3-difluorophenyl)-1,2,4-triazol-3-yl]-3-pyridinyl]-2-pyridinyl]-2,2-dimethylpropanamide.
What is the SMILES notation for N-[3-[6-amino-5-[4-(2,3-difluorophenyl)-1,2,4-triazol-3-yl]-3-pyridinyl]-2-pyridinyl]-2,2-dimethylpropanamide?
The canonical SMILES for N-[3-[6-amino-5-[4-(2,3-difluorophenyl)-1,2,4-triazol-3-yl]-3-pyridinyl]-2-pyridinyl]-2,2-dimethylpropanamide is CC(C)(C)C(=O)Nc1ncccc1-c1cnc(N)c(-c2nncn2-c2cccc(F)c2F)c1.
What is the InChIKey of N-[3-[6-amino-5-[4-(2,3-difluorophenyl)-1,2,4-triazol-3-yl]-3-pyridinyl]-2-pyridinyl]-2,2-dimethylpropanamide?
The InChIKey is CKFHHKHNRQEMNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21F2N7O/c1-23(2,3)22(33)30-20-14(6-5-9-27-20)13-10-15(19(26)28-11-13)21-31-29-12-32(21)17-8-4-7-16(24)18(17)25/h4-12H,1-3H3,(H2,26,28)(H,27,30,33).
What are the key properties of N-[3-[6-amino-5-[4-(2,3-difluorophenyl)-1,2,4-triazol-3-yl]-3-pyridinyl]-2-pyridinyl]-2,2-dimethylpropanamide?
N-[3-[6-amino-5-[4-(2,3-difluorophenyl)-1,2,4-triazol-3-yl]-3-pyridinyl]-2-pyridinyl]-2,2-dimethylpropanamide has a molecular weight of 449.47 g/mol, XLogP of 4.24, 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-[4-(2,3-difluorophenyl)-1,2,4-triazol-3-yl]-3-pyridinyl]-2-pyridinyl]-2,2-dimethylpropanamide is sourced from PubChem (CID 24762382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).