N-[(7,8-dimethyltetrazolo[1,5-a]quinolin-4-yl)methyl]-N-[(4-fluorophenyl)methyl]pyridine-3-carboxamide

C25H21FN6O — CID 44753402

IUPACN-[(7,8-dimethyltetrazolo[1,5-a]quinolin-4-yl)methyl]-N-[(4-fluorophenyl)methyl]pyridine-3-carboxamide
SMILESCc1cc2cc(CN(Cc3ccc(F)cc3)C(=O)c3cccnc3)c3nnnn3c2cc1C
InChIInChI=1S/C25H21FN6O/c1-16-10-20-12-21(24-28-29-30-32(24)23(20)11-17(16)2)15-31(14-18-5-7-22(26)8-6-18)25(33)19-4-3-9-27-13-19/h3-13H,14-15H2,1-2H3
InChIKeyNYMFVSOKYXATKK-UHFFFAOYSA-N
MW440.48 g/mol
LogP4.27
Rot. Bonds5

About N-[(7,8-dimethyltetrazolo[1,5-a]quinolin-4-yl)methyl]-N-[(4-fluorophenyl)methyl]pyridine-3-carboxamide

N-[(7,8-dimethyltetrazolo[1,5-a]quinolin-4-yl)methyl]-N-[(4-fluorophenyl)methyl]pyridine-3-carboxamide (PubChem CID 44753402) has the molecular formula C25H21FN6O and a molecular weight of 440.48 g/mol. Its IUPAC name is N-[(7,8-dimethyltetrazolo[1,5-a]quinolin-4-yl)methyl]-N-[(4-fluorophenyl)methyl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(7,8-dimethyltetrazolo[1,5-a]quinolin-4-yl)methyl]-N-[(4-fluorophenyl)methyl]pyridine-3-carboxamide
PubChem CID44753402
Molecular FormulaC25H21FN6O
Molecular Weight440.48 g/mol
Exact Mass440.18
IUPAC NameN-[(7,8-dimethyltetrazolo[1,5-a]quinolin-4-yl)methyl]-N-[(4-fluorophenyl)methyl]pyridine-3-carboxamide
SMILESCc1cc2cc(CN(Cc3ccc(F)cc3)C(=O)c3cccnc3)c3nnnn3c2cc1C
InChIInChI=1S/C25H21FN6O/c1-16-10-20-12-21(24-28-29-30-32(24)23(20)11-17(16)2)15-31(14-18-5-7-22(26)8-6-18)25(33)19-4-3-9-27-13-19/h3-13H,14-15H2,1-2H3
InChIKeyNYMFVSOKYXATKK-UHFFFAOYSA-N
XLogP4.27
TPSA76.28 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.48
LogP ≤ 54.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze N-[(7,8-dimethyltetrazolo[1,5-a]quinolin-4-yl)methyl]-N-[(4-fluorophenyl)methyl]pyridine-3-carboxamide with MolForge

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Related Compounds

N-benzyl-N-[(7,8-dimethyltetrazolo[1,5-a]quinolin-4-yl)methyl]pyridine-3-carboxamide
CID 43813556
N-[(4-methylphenyl)methyl]-N-[(9-methyltetrazolo[1,5-a]quinolin-4-yl)methyl]pyridine-3-carboxamide
CID 1466295
N-benzyl-N-[(9-methyltetrazolo[1,5-a]quinolin-4-yl)methyl]pyridine-3-carboxamide
CID 1466226
N-[(7,8-dimethyltetrazolo[1,5-a]quinolin-4-yl)methyl]-N-[(4-fluorophenyl)methyl]cyclobutanecarboxamide
CID 1459648
N-benzyl-N-[(7,8-dimethyltetrazolo[1,5-a]quinolin-4-yl)methyl]acetamide
CID 1459629
N-[(2-methoxyphenyl)methyl]-N-[(9-methyltetrazolo[1,5-a]quinolin-4-yl)methyl]pyridine-3-carboxamide
CID 1466328
N-benzyl-N-[(7-methyltetrazolo[1,5-a]quinolin-4-yl)methyl]benzamide
CID 1466370
3-methyl-N-[(9-methyltetrazolo[1,5-a]quinolin-4-yl)methyl]-N-(pyridin-3-ylmethyl)benzamide
CID 3216749
N-[(4-fluorophenyl)methyl]-N-[(9-methyltetrazolo[1,5-a]quinolin-4-yl)methyl]acetamide
CID 1466244
N-[(7,8-dimethyltetrazolo[1,5-a]quinolin-4-yl)methyl]-2,2,2-trifluoro-N-(2-phenylethyl)acetamide
CID 1459667
N-benzyl-N-[(7,8-dimethyltetrazolo[1,5-a]quinolin-4-yl)methyl]morpholine-4-carboxamide
CID 43813555
1-[(8,9-dimethyltetrazolo[1,5-a]quinolin-4-yl)methyl]-1-[(4-fluorophenyl)methyl]-3,3-dimethylurea
CID 3849372

Frequently Asked Questions

What is the IUPAC name of N-[(7,8-dimethyltetrazolo[1,5-a]quinolin-4-yl)methyl]-N-[(4-fluorophenyl)methyl]pyridine-3-carboxamide?
The IUPAC name of N-[(7,8-dimethyltetrazolo[1,5-a]quinolin-4-yl)methyl]-N-[(4-fluorophenyl)methyl]pyridine-3-carboxamide (CID 44753402) is N-[(7,8-dimethyltetrazolo[1,5-a]quinolin-4-yl)methyl]-N-[(4-fluorophenyl)methyl]pyridine-3-carboxamide.
What is the SMILES notation for N-[(7,8-dimethyltetrazolo[1,5-a]quinolin-4-yl)methyl]-N-[(4-fluorophenyl)methyl]pyridine-3-carboxamide?
The canonical SMILES for N-[(7,8-dimethyltetrazolo[1,5-a]quinolin-4-yl)methyl]-N-[(4-fluorophenyl)methyl]pyridine-3-carboxamide is Cc1cc2cc(CN(Cc3ccc(F)cc3)C(=O)c3cccnc3)c3nnnn3c2cc1C.
What is the InChIKey of N-[(7,8-dimethyltetrazolo[1,5-a]quinolin-4-yl)methyl]-N-[(4-fluorophenyl)methyl]pyridine-3-carboxamide?
The InChIKey is NYMFVSOKYXATKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21FN6O/c1-16-10-20-12-21(24-28-29-30-32(24)23(20)11-17(16)2)15-31(14-18-5-7-22(26)8-6-18)25(33)19-4-3-9-27-13-19/h3-13H,14-15H2,1-2H3.
What are the key properties of N-[(7,8-dimethyltetrazolo[1,5-a]quinolin-4-yl)methyl]-N-[(4-fluorophenyl)methyl]pyridine-3-carboxamide?
N-[(7,8-dimethyltetrazolo[1,5-a]quinolin-4-yl)methyl]-N-[(4-fluorophenyl)methyl]pyridine-3-carboxamide has a molecular weight of 440.48 g/mol, XLogP of 4.27, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(7,8-dimethyltetrazolo[1,5-a]quinolin-4-yl)methyl]-N-[(4-fluorophenyl)methyl]pyridine-3-carboxamide is sourced from PubChem (CID 44753402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).