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

C22H22N6O — CID 3216736

IUPACN-cyclopentyl-N-[(9-methyltetrazolo[1,5-a]quinolin-4-yl)methyl]pyridine-4-carboxamide
SMILESCc1cccc2cc(CN(C(=O)c3ccncc3)C3CCCC3)c3nnnn3c12
InChIInChI=1S/C22H22N6O/c1-15-5-4-6-17-13-18(21-24-25-26-28(21)20(15)17)14-27(19-7-2-3-8-19)22(29)16-9-11-23-12-10-16/h4-6,9-13,19H,2-3,7-8,14H2,1H3
InChIKeyCOXJNQHWUFYEEJ-UHFFFAOYSA-N
MW386.46 g/mol
LogP3.57
Rot. Bonds4

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

N-cyclopentyl-N-[(9-methyltetrazolo[1,5-a]quinolin-4-yl)methyl]pyridine-4-carboxamide (PubChem CID 3216736) has the molecular formula C22H22N6O and a molecular weight of 386.46 g/mol. Its IUPAC name is N-cyclopentyl-N-[(9-methyltetrazolo[1,5-a]quinolin-4-yl)methyl]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-cyclopentyl-N-[(9-methyltetrazolo[1,5-a]quinolin-4-yl)methyl]pyridine-4-carboxamide
PubChem CID3216736
Molecular FormulaC22H22N6O
Molecular Weight386.46 g/mol
Exact Mass386.19
IUPAC NameN-cyclopentyl-N-[(9-methyltetrazolo[1,5-a]quinolin-4-yl)methyl]pyridine-4-carboxamide
SMILESCc1cccc2cc(CN(C(=O)c3ccncc3)C3CCCC3)c3nnnn3c12
InChIInChI=1S/C22H22N6O/c1-15-5-4-6-17-13-18(21-24-25-26-28(21)20(15)17)14-27(19-7-2-3-8-19)22(29)16-9-11-23-12-10-16/h4-6,9-13,19H,2-3,7-8,14H2,1H3
InChIKeyCOXJNQHWUFYEEJ-UHFFFAOYSA-N
XLogP3.57
TPSA76.28 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.46
LogP ≤ 53.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze N-cyclopentyl-N-[(9-methyltetrazolo[1,5-a]quinolin-4-yl)methyl]pyridine-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-N-[(9-methyltetrazolo[1,5-a]quinolin-4-yl)methyl]pyridine-4-carboxamide?
The IUPAC name of N-cyclopentyl-N-[(9-methyltetrazolo[1,5-a]quinolin-4-yl)methyl]pyridine-4-carboxamide (CID 3216736) is N-cyclopentyl-N-[(9-methyltetrazolo[1,5-a]quinolin-4-yl)methyl]pyridine-4-carboxamide.
What is the SMILES notation for N-cyclopentyl-N-[(9-methyltetrazolo[1,5-a]quinolin-4-yl)methyl]pyridine-4-carboxamide?
The canonical SMILES for N-cyclopentyl-N-[(9-methyltetrazolo[1,5-a]quinolin-4-yl)methyl]pyridine-4-carboxamide is Cc1cccc2cc(CN(C(=O)c3ccncc3)C3CCCC3)c3nnnn3c12.
What is the InChIKey of N-cyclopentyl-N-[(9-methyltetrazolo[1,5-a]quinolin-4-yl)methyl]pyridine-4-carboxamide?
The InChIKey is COXJNQHWUFYEEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N6O/c1-15-5-4-6-17-13-18(21-24-25-26-28(21)20(15)17)14-27(19-7-2-3-8-19)22(29)16-9-11-23-12-10-16/h4-6,9-13,19H,2-3,7-8,14H2,1H3.
What are the key properties of N-cyclopentyl-N-[(9-methyltetrazolo[1,5-a]quinolin-4-yl)methyl]pyridine-4-carboxamide?
N-cyclopentyl-N-[(9-methyltetrazolo[1,5-a]quinolin-4-yl)methyl]pyridine-4-carboxamide has a molecular weight of 386.46 g/mol, XLogP of 3.57, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-N-[(9-methyltetrazolo[1,5-a]quinolin-4-yl)methyl]pyridine-4-carboxamide is sourced from PubChem (CID 3216736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).