5,6-dichloro-N-[3-(1-methyltetrazol-5-yl)phenyl]pyridine-3-carboxamide

C14H10Cl2N6O — CID 51304309

IUPAC5,6-dichloro-N-[3-(1-methyltetrazol-5-yl)phenyl]pyridine-3-carboxamide
SMILESCn1nnnc1-c1cccc(NC(=O)c2cnc(Cl)c(Cl)c2)c1
InChIInChI=1S/C14H10Cl2N6O/c1-22-13(19-20-21-22)8-3-2-4-10(5-8)18-14(23)9-6-11(15)12(16)17-7-9/h2-7H,1H3,(H,18,23)
InChIKeyRRPPJMNDZCGCFP-UHFFFAOYSA-N
MW349.18 g/mol
LogP2.83
Rot. Bonds3

About 5,6-dichloro-N-[3-(1-methyltetrazol-5-yl)phenyl]pyridine-3-carboxamide

5,6-dichloro-N-[3-(1-methyltetrazol-5-yl)phenyl]pyridine-3-carboxamide (PubChem CID 51304309) has the molecular formula C14H10Cl2N6O and a molecular weight of 349.18 g/mol. Its IUPAC name is 5,6-dichloro-N-[3-(1-methyltetrazol-5-yl)phenyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name5,6-dichloro-N-[3-(1-methyltetrazol-5-yl)phenyl]pyridine-3-carboxamide
PubChem CID51304309
Molecular FormulaC14H10Cl2N6O
Molecular Weight349.18 g/mol
Exact Mass348.03
IUPAC Name5,6-dichloro-N-[3-(1-methyltetrazol-5-yl)phenyl]pyridine-3-carboxamide
SMILESCn1nnnc1-c1cccc(NC(=O)c2cnc(Cl)c(Cl)c2)c1
InChIInChI=1S/C14H10Cl2N6O/c1-22-13(19-20-21-22)8-3-2-4-10(5-8)18-14(23)9-6-11(15)12(16)17-7-9/h2-7H,1H3,(H,18,23)
InChIKeyRRPPJMNDZCGCFP-UHFFFAOYSA-N
XLogP2.83
TPSA85.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.18
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

3-chloro-N-[3-(1-methyltetrazol-5-yl)phenyl]benzamide
CID 30414116
4-chloro-N-[3-(1-methyltetrazol-5-yl)phenyl]-3-sulfamoylbenzamide
CID 41357033
N-[3-(1-methyltetrazol-5-yl)phenyl]-2H-triazole-4-carboxamide
CID 112733195
3-(2-chloro-6-fluorophenyl)-5-methyl-N-[3-(1-methyltetrazol-5-yl)phenyl]-1,2-oxazole-4-carboxamide
CID 41360360
N-[3-(1-methyltetrazol-5-yl)phenyl]but-2-enamide
CID 112723851
2-bromo-N-[3-(1-methyltetrazol-5-yl)phenyl]benzamide
CID 17422742
N-(3-bromophenyl)-5,6-dichloropyridine-3-carboxamide
CID 2095074
2-amino-N-[3-(1-methyltetrazol-5-yl)phenyl]-1,3-thiazole-4-carboxamide
CID 62788208
4-(difluoromethoxy)-3-methoxy-N-[3-(1-methyltetrazol-5-yl)phenyl]benzamide
CID 41357494
2-(3-chloro-4-fluorophenoxy)-N-[3-(1-methyltetrazol-5-yl)phenyl]acetamide
CID 134002158
1-[(4-methoxyphenyl)methyl]-N-[3-(1-methyltetrazol-5-yl)phenyl]pyrazole-4-carboxamide
CID 136524555
4-ethyl-N-[3-(1-methyltetrazol-5-yl)phenyl]-1,3-thiazole-5-carboxamide
CID 136517028

Frequently Asked Questions

What is the IUPAC name of 5,6-dichloro-N-[3-(1-methyltetrazol-5-yl)phenyl]pyridine-3-carboxamide?
The IUPAC name of 5,6-dichloro-N-[3-(1-methyltetrazol-5-yl)phenyl]pyridine-3-carboxamide (CID 51304309) is 5,6-dichloro-N-[3-(1-methyltetrazol-5-yl)phenyl]pyridine-3-carboxamide.
What is the SMILES notation for 5,6-dichloro-N-[3-(1-methyltetrazol-5-yl)phenyl]pyridine-3-carboxamide?
The canonical SMILES for 5,6-dichloro-N-[3-(1-methyltetrazol-5-yl)phenyl]pyridine-3-carboxamide is Cn1nnnc1-c1cccc(NC(=O)c2cnc(Cl)c(Cl)c2)c1.
What is the InChIKey of 5,6-dichloro-N-[3-(1-methyltetrazol-5-yl)phenyl]pyridine-3-carboxamide?
The InChIKey is RRPPJMNDZCGCFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10Cl2N6O/c1-22-13(19-20-21-22)8-3-2-4-10(5-8)18-14(23)9-6-11(15)12(16)17-7-9/h2-7H,1H3,(H,18,23).
What are the key properties of 5,6-dichloro-N-[3-(1-methyltetrazol-5-yl)phenyl]pyridine-3-carboxamide?
5,6-dichloro-N-[3-(1-methyltetrazol-5-yl)phenyl]pyridine-3-carboxamide has a molecular weight of 349.18 g/mol, XLogP of 2.83, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dichloro-N-[3-(1-methyltetrazol-5-yl)phenyl]pyridine-3-carboxamide is sourced from PubChem (CID 51304309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).