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

C25H22N6O — CID 43813556

IUPACN-benzyl-N-[(7,8-dimethyltetrazolo[1,5-a]quinolin-4-yl)methyl]pyridine-3-carboxamide
SMILESCc1cc2cc(CN(Cc3ccccc3)C(=O)c3cccnc3)c3nnnn3c2cc1C
InChIInChI=1S/C25H22N6O/c1-17-11-21-13-22(24-27-28-29-31(24)23(21)12-18(17)2)16-30(15-19-7-4-3-5-8-19)25(32)20-9-6-10-26-14-20/h3-14H,15-16H2,1-2H3
InChIKeyYCJDRMYOBPXGKY-UHFFFAOYSA-N
MW422.49 g/mol
LogP4.13
Rot. Bonds5

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

N-benzyl-N-[(7,8-dimethyltetrazolo[1,5-a]quinolin-4-yl)methyl]pyridine-3-carboxamide (PubChem CID 43813556) has the molecular formula C25H22N6O and a molecular weight of 422.49 g/mol. Its IUPAC name is N-benzyl-N-[(7,8-dimethyltetrazolo[1,5-a]quinolin-4-yl)methyl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-benzyl-N-[(7,8-dimethyltetrazolo[1,5-a]quinolin-4-yl)methyl]pyridine-3-carboxamide
PubChem CID43813556
Molecular FormulaC25H22N6O
Molecular Weight422.49 g/mol
Exact Mass422.19
IUPAC NameN-benzyl-N-[(7,8-dimethyltetrazolo[1,5-a]quinolin-4-yl)methyl]pyridine-3-carboxamide
SMILESCc1cc2cc(CN(Cc3ccccc3)C(=O)c3cccnc3)c3nnnn3c2cc1C
InChIInChI=1S/C25H22N6O/c1-17-11-21-13-22(24-27-28-29-31(24)23(21)12-18(17)2)16-30(15-19-7-4-3-5-8-19)25(32)20-9-6-10-26-14-20/h3-14H,15-16H2,1-2H3
InChIKeyYCJDRMYOBPXGKY-UHFFFAOYSA-N
XLogP4.13
TPSA76.28 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.49
LogP ≤ 54.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(7,8-dimethyltetrazolo[1,5-a]quinolin-4-yl)methyl]-N-[(4-fluorophenyl)methyl]pyridine-3-carboxamide
CID 44753402
N-benzyl-N-[(9-methyltetrazolo[1,5-a]quinolin-4-yl)methyl]pyridine-3-carboxamide
CID 1466226
N-benzyl-N-[(7,8-dimethyltetrazolo[1,5-a]quinolin-4-yl)methyl]acetamide
CID 1459629
N-benzyl-N-[(7-methyltetrazolo[1,5-a]quinolin-4-yl)methyl]benzamide
CID 1466370
N-[(4-methylphenyl)methyl]-N-[(9-methyltetrazolo[1,5-a]quinolin-4-yl)methyl]pyridine-3-carboxamide
CID 1466295
N-[(2-methoxyphenyl)methyl]-N-[(9-methyltetrazolo[1,5-a]quinolin-4-yl)methyl]pyridine-3-carboxamide
CID 1466328
N-benzyl-N-[(7,8-dimethyltetrazolo[1,5-a]quinolin-4-yl)methyl]morpholine-4-carboxamide
CID 43813555
3-methyl-N-[(9-methyltetrazolo[1,5-a]quinolin-4-yl)methyl]-N-(pyridin-3-ylmethyl)benzamide
CID 3216749
N-[(7,8-dimethyltetrazolo[1,5-a]quinolin-4-yl)methyl]-2,2,2-trifluoro-N-(2-phenylethyl)acetamide
CID 1459667
N-benzyl-2-methoxy-N-[(7-methyltetrazolo[1,5-a]quinolin-4-yl)methyl]benzamide
CID 43813460
N-(furan-2-ylmethyl)-N-[(7-methyltetrazolo[1,5-a]quinolin-4-yl)methyl]benzamide
CID 1466456
N-[(9-methyltetrazolo[1,5-a]quinolin-4-yl)methyl]-N-(2-phenylethyl)pyridine-4-carboxamide
CID 1466287

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-[(7,8-dimethyltetrazolo[1,5-a]quinolin-4-yl)methyl]pyridine-3-carboxamide?
The IUPAC name of N-benzyl-N-[(7,8-dimethyltetrazolo[1,5-a]quinolin-4-yl)methyl]pyridine-3-carboxamide (CID 43813556) is N-benzyl-N-[(7,8-dimethyltetrazolo[1,5-a]quinolin-4-yl)methyl]pyridine-3-carboxamide.
What is the SMILES notation for N-benzyl-N-[(7,8-dimethyltetrazolo[1,5-a]quinolin-4-yl)methyl]pyridine-3-carboxamide?
The canonical SMILES for N-benzyl-N-[(7,8-dimethyltetrazolo[1,5-a]quinolin-4-yl)methyl]pyridine-3-carboxamide is Cc1cc2cc(CN(Cc3ccccc3)C(=O)c3cccnc3)c3nnnn3c2cc1C.
What is the InChIKey of N-benzyl-N-[(7,8-dimethyltetrazolo[1,5-a]quinolin-4-yl)methyl]pyridine-3-carboxamide?
The InChIKey is YCJDRMYOBPXGKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22N6O/c1-17-11-21-13-22(24-27-28-29-31(24)23(21)12-18(17)2)16-30(15-19-7-4-3-5-8-19)25(32)20-9-6-10-26-14-20/h3-14H,15-16H2,1-2H3.
What are the key properties of N-benzyl-N-[(7,8-dimethyltetrazolo[1,5-a]quinolin-4-yl)methyl]pyridine-3-carboxamide?
N-benzyl-N-[(7,8-dimethyltetrazolo[1,5-a]quinolin-4-yl)methyl]pyridine-3-carboxamide has a molecular weight of 422.49 g/mol, XLogP of 4.13, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-[(7,8-dimethyltetrazolo[1,5-a]quinolin-4-yl)methyl]pyridine-3-carboxamide is sourced from PubChem (CID 43813556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).