N-[(9-methyltetrazolo[1,5-a]quinolin-4-yl)methyl]-N-(2-phenylethyl)pyridine-4-carboxamide

C25H22N6O — CID 1466287

IUPACN-[(9-methyltetrazolo[1,5-a]quinolin-4-yl)methyl]-N-(2-phenylethyl)pyridine-4-carboxamide
SMILESCc1cccc2cc(CN(CCc3ccccc3)C(=O)c3ccncc3)c3nnnn3c12
InChIInChI=1S/C25H22N6O/c1-18-6-5-9-21-16-22(24-27-28-29-31(24)23(18)21)17-30(15-12-19-7-3-2-4-8-19)25(32)20-10-13-26-14-11-20/h2-11,13-14,16H,12,15,17H2,1H3
InChIKeyCAYWRWDIEXXOIS-UHFFFAOYSA-N
MW422.49 g/mol
LogP3.87
Rot. Bonds6

About N-[(9-methyltetrazolo[1,5-a]quinolin-4-yl)methyl]-N-(2-phenylethyl)pyridine-4-carboxamide

N-[(9-methyltetrazolo[1,5-a]quinolin-4-yl)methyl]-N-(2-phenylethyl)pyridine-4-carboxamide (PubChem CID 1466287) has the molecular formula C25H22N6O and a molecular weight of 422.49 g/mol. Its IUPAC name is N-[(9-methyltetrazolo[1,5-a]quinolin-4-yl)methyl]-N-(2-phenylethyl)pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[(9-methyltetrazolo[1,5-a]quinolin-4-yl)methyl]-N-(2-phenylethyl)pyridine-4-carboxamide
PubChem CID1466287
Molecular FormulaC25H22N6O
Molecular Weight422.49 g/mol
Exact Mass422.19
IUPAC NameN-[(9-methyltetrazolo[1,5-a]quinolin-4-yl)methyl]-N-(2-phenylethyl)pyridine-4-carboxamide
SMILESCc1cccc2cc(CN(CCc3ccccc3)C(=O)c3ccncc3)c3nnnn3c12
InChIInChI=1S/C25H22N6O/c1-18-6-5-9-21-16-22(24-27-28-29-31(24)23(18)21)17-30(15-12-19-7-3-2-4-8-19)25(32)20-10-13-26-14-11-20/h2-11,13-14,16H,12,15,17H2,1H3
InChIKeyCAYWRWDIEXXOIS-UHFFFAOYSA-N
XLogP3.87
TPSA76.28 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.49
LogP ≤ 53.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(9-methyltetrazolo[1,5-a]quinolin-4-yl)methyl]-N-(2-phenylethyl)pyridine-4-carboxamide?
The IUPAC name of N-[(9-methyltetrazolo[1,5-a]quinolin-4-yl)methyl]-N-(2-phenylethyl)pyridine-4-carboxamide (CID 1466287) is N-[(9-methyltetrazolo[1,5-a]quinolin-4-yl)methyl]-N-(2-phenylethyl)pyridine-4-carboxamide.
What is the SMILES notation for N-[(9-methyltetrazolo[1,5-a]quinolin-4-yl)methyl]-N-(2-phenylethyl)pyridine-4-carboxamide?
The canonical SMILES for N-[(9-methyltetrazolo[1,5-a]quinolin-4-yl)methyl]-N-(2-phenylethyl)pyridine-4-carboxamide is Cc1cccc2cc(CN(CCc3ccccc3)C(=O)c3ccncc3)c3nnnn3c12.
What is the InChIKey of N-[(9-methyltetrazolo[1,5-a]quinolin-4-yl)methyl]-N-(2-phenylethyl)pyridine-4-carboxamide?
The InChIKey is CAYWRWDIEXXOIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22N6O/c1-18-6-5-9-21-16-22(24-27-28-29-31(24)23(18)21)17-30(15-12-19-7-3-2-4-8-19)25(32)20-10-13-26-14-11-20/h2-11,13-14,16H,12,15,17H2,1H3.
What are the key properties of N-[(9-methyltetrazolo[1,5-a]quinolin-4-yl)methyl]-N-(2-phenylethyl)pyridine-4-carboxamide?
N-[(9-methyltetrazolo[1,5-a]quinolin-4-yl)methyl]-N-(2-phenylethyl)pyridine-4-carboxamide has a molecular weight of 422.49 g/mol, XLogP of 3.87, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(9-methyltetrazolo[1,5-a]quinolin-4-yl)methyl]-N-(2-phenylethyl)pyridine-4-carboxamide is sourced from PubChem (CID 1466287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).