N-[3-(3-chlorophenoxy)propyl]-N-methyltetrazolo[1,5-a]pyridine-6-carboxamide

C16H16ClN5O2 — CID 71853795

IUPACN-[3-(3-chlorophenoxy)propyl]-N-methyltetrazolo[1,5-a]pyridine-6-carboxamide
SMILESCN(CCCOc1cccc(Cl)c1)C(=O)c1ccc2nnnn2c1
InChIInChI=1S/C16H16ClN5O2/c1-21(8-3-9-24-14-5-2-4-13(17)10-14)16(23)12-6-7-15-18-19-20-22(15)11-12/h2,4-7,10-11H,3,8-9H2,1H3
InChIKeyLMKFITKWUWOPLN-UHFFFAOYSA-N
MW345.79 g/mol
LogP2.32
Rot. Bonds6

About N-[3-(3-chlorophenoxy)propyl]-N-methyltetrazolo[1,5-a]pyridine-6-carboxamide

N-[3-(3-chlorophenoxy)propyl]-N-methyltetrazolo[1,5-a]pyridine-6-carboxamide (PubChem CID 71853795) has the molecular formula C16H16ClN5O2 and a molecular weight of 345.79 g/mol. Its IUPAC name is N-[3-(3-chlorophenoxy)propyl]-N-methyltetrazolo[1,5-a]pyridine-6-carboxamide.

Molecular Properties

Compound NameN-[3-(3-chlorophenoxy)propyl]-N-methyltetrazolo[1,5-a]pyridine-6-carboxamide
PubChem CID71853795
Molecular FormulaC16H16ClN5O2
Molecular Weight345.79 g/mol
Exact Mass345.10
IUPAC NameN-[3-(3-chlorophenoxy)propyl]-N-methyltetrazolo[1,5-a]pyridine-6-carboxamide
SMILESCN(CCCOc1cccc(Cl)c1)C(=O)c1ccc2nnnn2c1
InChIInChI=1S/C16H16ClN5O2/c1-21(8-3-9-24-14-5-2-4-13(17)10-14)16(23)12-6-7-15-18-19-20-22(15)11-12/h2,4-7,10-11H,3,8-9H2,1H3
InChIKeyLMKFITKWUWOPLN-UHFFFAOYSA-N
XLogP2.32
TPSA72.62 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.79
LogP ≤ 52.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-[4-[3-(3-chlorophenoxy)propyl-methylcarbamoyl]phenoxy]benzamide
CID 56549046
N-[3-(3-chlorophenoxy)propyl]-N,2,3-trimethylquinoxaline-6-carboxamide
CID 55897423
2,6-dichloro-N-[2-(3-chlorophenoxy)ethyl]-N-methylpyridine-4-carboxamide
CID 78819673
N-[3-(3-chlorophenoxy)propyl]-N,4-dimethyl-3-nitrobenzamide
CID 55898199
5-chloro-N-[3-(3-chlorophenoxy)propyl]-2-methoxy-N-methyl-4-(tetrazol-1-yl)benzamide
CID 55919139
N-[3-(3-chlorophenoxy)propyl]-3-(methanesulfonamido)-N,4-dimethylbenzamide
CID 55956047
N-[2-(3-chlorophenoxy)ethyl]-3,5-dimethoxy-N-methylbenzamide
CID 27446793
5-amino-N-[3-(3-chlorophenoxy)propyl]-N,2-dimethylbenzamide
CID 120624386
N-[2-(3-chlorophenoxy)ethyl]-N-methyltetrazolo[1,5-b]pyridazin-6-amine
CID 17460797
3-amino-N-[3-(3-chlorophenoxy)propyl]-N-methylpropanamide;hydrochloride
CID 119298305
N-[3-[3-(3-chlorophenoxy)propyl-methylcarbamoyl]phenyl]furan-2-carboxamide
CID 55919012
N-[3-(3-chlorophenoxy)propyl]-N,1-dimethyl-4-(methylsulfamoyl)pyrrole-2-carboxamide
CID 55955665

Frequently Asked Questions

What is the IUPAC name of N-[3-(3-chlorophenoxy)propyl]-N-methyltetrazolo[1,5-a]pyridine-6-carboxamide?
The IUPAC name of N-[3-(3-chlorophenoxy)propyl]-N-methyltetrazolo[1,5-a]pyridine-6-carboxamide (CID 71853795) is N-[3-(3-chlorophenoxy)propyl]-N-methyltetrazolo[1,5-a]pyridine-6-carboxamide.
What is the SMILES notation for N-[3-(3-chlorophenoxy)propyl]-N-methyltetrazolo[1,5-a]pyridine-6-carboxamide?
The canonical SMILES for N-[3-(3-chlorophenoxy)propyl]-N-methyltetrazolo[1,5-a]pyridine-6-carboxamide is CN(CCCOc1cccc(Cl)c1)C(=O)c1ccc2nnnn2c1.
What is the InChIKey of N-[3-(3-chlorophenoxy)propyl]-N-methyltetrazolo[1,5-a]pyridine-6-carboxamide?
The InChIKey is LMKFITKWUWOPLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClN5O2/c1-21(8-3-9-24-14-5-2-4-13(17)10-14)16(23)12-6-7-15-18-19-20-22(15)11-12/h2,4-7,10-11H,3,8-9H2,1H3.
What are the key properties of N-[3-(3-chlorophenoxy)propyl]-N-methyltetrazolo[1,5-a]pyridine-6-carboxamide?
N-[3-(3-chlorophenoxy)propyl]-N-methyltetrazolo[1,5-a]pyridine-6-carboxamide has a molecular weight of 345.79 g/mol, XLogP of 2.32, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(3-chlorophenoxy)propyl]-N-methyltetrazolo[1,5-a]pyridine-6-carboxamide is sourced from PubChem (CID 71853795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).