N-benzyl-N-[(9-methyltetrazolo[1,5-a]quinolin-4-yl)methyl]pyridine-3-carboxamide

C24H20N6O — CID 1466226

IUPACN-benzyl-N-[(9-methyltetrazolo[1,5-a]quinolin-4-yl)methyl]pyridine-3-carboxamide
SMILESCc1cccc2cc(CN(Cc3ccccc3)C(=O)c3cccnc3)c3nnnn3c12
InChIInChI=1S/C24H20N6O/c1-17-7-5-10-19-13-21(23-26-27-28-30(23)22(17)19)16-29(15-18-8-3-2-4-9-18)24(31)20-11-6-12-25-14-20/h2-14H,15-16H2,1H3
InChIKeyVQCOZGPMTKGTQY-UHFFFAOYSA-N
MW408.47 g/mol
LogP3.82
Rot. Bonds5

About N-benzyl-N-[(9-methyltetrazolo[1,5-a]quinolin-4-yl)methyl]pyridine-3-carboxamide

N-benzyl-N-[(9-methyltetrazolo[1,5-a]quinolin-4-yl)methyl]pyridine-3-carboxamide (PubChem CID 1466226) has the molecular formula C24H20N6O and a molecular weight of 408.47 g/mol. Its IUPAC name is N-benzyl-N-[(9-methyltetrazolo[1,5-a]quinolin-4-yl)methyl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-benzyl-N-[(9-methyltetrazolo[1,5-a]quinolin-4-yl)methyl]pyridine-3-carboxamide
PubChem CID1466226
Molecular FormulaC24H20N6O
Molecular Weight408.47 g/mol
Exact Mass408.17
IUPAC NameN-benzyl-N-[(9-methyltetrazolo[1,5-a]quinolin-4-yl)methyl]pyridine-3-carboxamide
SMILESCc1cccc2cc(CN(Cc3ccccc3)C(=O)c3cccnc3)c3nnnn3c12
InChIInChI=1S/C24H20N6O/c1-17-7-5-10-19-13-21(23-26-27-28-30(23)22(17)19)16-29(15-18-8-3-2-4-9-18)24(31)20-11-6-12-25-14-20/h2-14H,15-16H2,1H3
InChIKeyVQCOZGPMTKGTQY-UHFFFAOYSA-N
XLogP3.82
TPSA76.28 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.47
LogP ≤ 53.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(4-methylphenyl)methyl]-N-[(9-methyltetrazolo[1,5-a]quinolin-4-yl)methyl]pyridine-3-carboxamide
CID 1466295
3-methyl-N-[(9-methyltetrazolo[1,5-a]quinolin-4-yl)methyl]-N-(pyridin-3-ylmethyl)benzamide
CID 3216749
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]pyridine-3-carboxamide
CID 43813556
N-[(9-methyltetrazolo[1,5-a]quinolin-4-yl)methyl]-N-(2-phenylethyl)pyridine-4-carboxamide
CID 1466287
N-benzyl-2,2,2-trifluoro-N-[(9-methyltetrazolo[1,5-a]quinolin-4-yl)methyl]acetamide
CID 1466229
N-[(9-methyltetrazolo[1,5-a]quinolin-4-yl)methyl]-N-(pyridin-3-ylmethyl)cyclopropanecarboxamide;hydrochloride
CID 171668574
N-[(7,8-dimethyltetrazolo[1,5-a]quinolin-4-yl)methyl]-N-[(4-fluorophenyl)methyl]pyridine-3-carboxamide
CID 44753402
N-benzyl-N-[(7-methyltetrazolo[1,5-a]quinolin-4-yl)methyl]benzamide
CID 1466370
N-[(4-fluorophenyl)methyl]-N-[(9-methyltetrazolo[1,5-a]quinolin-4-yl)methyl]acetamide
CID 1466244
N-[(9-methyltetrazolo[1,5-a]quinolin-4-yl)methyl]-N-[[(2R)-oxolan-2-yl]methyl]pyridine-4-carboxamide
CID 1466234
N-cyclopentyl-N-[(9-methyltetrazolo[1,5-a]quinolin-4-yl)methyl]pyridine-4-carboxamide
CID 3216736

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-[(9-methyltetrazolo[1,5-a]quinolin-4-yl)methyl]pyridine-3-carboxamide?
The IUPAC name of N-benzyl-N-[(9-methyltetrazolo[1,5-a]quinolin-4-yl)methyl]pyridine-3-carboxamide (CID 1466226) is N-benzyl-N-[(9-methyltetrazolo[1,5-a]quinolin-4-yl)methyl]pyridine-3-carboxamide.
What is the SMILES notation for N-benzyl-N-[(9-methyltetrazolo[1,5-a]quinolin-4-yl)methyl]pyridine-3-carboxamide?
The canonical SMILES for N-benzyl-N-[(9-methyltetrazolo[1,5-a]quinolin-4-yl)methyl]pyridine-3-carboxamide is Cc1cccc2cc(CN(Cc3ccccc3)C(=O)c3cccnc3)c3nnnn3c12.
What is the InChIKey of N-benzyl-N-[(9-methyltetrazolo[1,5-a]quinolin-4-yl)methyl]pyridine-3-carboxamide?
The InChIKey is VQCOZGPMTKGTQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20N6O/c1-17-7-5-10-19-13-21(23-26-27-28-30(23)22(17)19)16-29(15-18-8-3-2-4-9-18)24(31)20-11-6-12-25-14-20/h2-14H,15-16H2,1H3.
What are the key properties of N-benzyl-N-[(9-methyltetrazolo[1,5-a]quinolin-4-yl)methyl]pyridine-3-carboxamide?
N-benzyl-N-[(9-methyltetrazolo[1,5-a]quinolin-4-yl)methyl]pyridine-3-carboxamide has a molecular weight of 408.47 g/mol, XLogP of 3.82, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-[(9-methyltetrazolo[1,5-a]quinolin-4-yl)methyl]pyridine-3-carboxamide is sourced from PubChem (CID 1466226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).