N-[2-chloro-6-(difluoromethoxy)-3-[(1-methyl-2,3-dihydrotetrazol-5-yl)carbamoyl]phenyl]pyridine-3-carboxamide

C16H14ClF2N7O3 — CID 168840859

IUPACN-[2-chloro-6-(difluoromethoxy)-3-[(1-methyl-2,3-dihydrotetrazol-5-yl)carbamoyl]phenyl]pyridine-3-carboxamide
SMILESCN1NNN=C1NC(=O)c1ccc(OC(F)F)c(NC(=O)c2cccnc2)c1Cl
InChIInChI=1S/C16H14ClF2N7O3/c1-26-16(23-24-25-26)22-14(28)9-4-5-10(29-15(18)19)12(11(9)17)21-13(27)8-3-2-6-20-7-8/h2-7,15,24-25H,1H3,(H,21,27)(H,22,23,28)
InChIKeyZLEUBPQMSHPZIS-UHFFFAOYSA-N
MW425.78 g/mol
LogP1.54
Rot. Bonds5

About N-[2-chloro-6-(difluoromethoxy)-3-[(1-methyl-2,3-dihydrotetrazol-5-yl)carbamoyl]phenyl]pyridine-3-carboxamide

N-[2-chloro-6-(difluoromethoxy)-3-[(1-methyl-2,3-dihydrotetrazol-5-yl)carbamoyl]phenyl]pyridine-3-carboxamide (PubChem CID 168840859) has the molecular formula C16H14ClF2N7O3 and a molecular weight of 425.78 g/mol. Its IUPAC name is N-[2-chloro-6-(difluoromethoxy)-3-[(1-methyl-2,3-dihydrotetrazol-5-yl)carbamoyl]phenyl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[2-chloro-6-(difluoromethoxy)-3-[(1-methyl-2,3-dihydrotetrazol-5-yl)carbamoyl]phenyl]pyridine-3-carboxamide
PubChem CID168840859
Molecular FormulaC16H14ClF2N7O3
Molecular Weight425.78 g/mol
Exact Mass425.08
IUPAC NameN-[2-chloro-6-(difluoromethoxy)-3-[(1-methyl-2,3-dihydrotetrazol-5-yl)carbamoyl]phenyl]pyridine-3-carboxamide
SMILESCN1NNN=C1NC(=O)c1ccc(OC(F)F)c(NC(=O)c2cccnc2)c1Cl
InChIInChI=1S/C16H14ClF2N7O3/c1-26-16(23-24-25-26)22-14(28)9-4-5-10(29-15(18)19)12(11(9)17)21-13(27)8-3-2-6-20-7-8/h2-7,15,24-25H,1H3,(H,21,27)(H,22,23,28)
InChIKeyZLEUBPQMSHPZIS-UHFFFAOYSA-N
XLogP1.54
TPSA119.98 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.78
LogP ≤ 51.54
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Analyze N-[2-chloro-6-(difluoromethoxy)-3-[(1-methyl-2,3-dihydrotetrazol-5-yl)carbamoyl]phenyl]pyridine-3-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-[2-chloro-6-(difluoromethoxy)-3-[(1-methyl-2,3-dihydrotetrazol-5-yl)carbamoyl]phenyl]pyridine-3-carboxamide?
The IUPAC name of N-[2-chloro-6-(difluoromethoxy)-3-[(1-methyl-2,3-dihydrotetrazol-5-yl)carbamoyl]phenyl]pyridine-3-carboxamide (CID 168840859) is N-[2-chloro-6-(difluoromethoxy)-3-[(1-methyl-2,3-dihydrotetrazol-5-yl)carbamoyl]phenyl]pyridine-3-carboxamide.
What is the SMILES notation for N-[2-chloro-6-(difluoromethoxy)-3-[(1-methyl-2,3-dihydrotetrazol-5-yl)carbamoyl]phenyl]pyridine-3-carboxamide?
The canonical SMILES for N-[2-chloro-6-(difluoromethoxy)-3-[(1-methyl-2,3-dihydrotetrazol-5-yl)carbamoyl]phenyl]pyridine-3-carboxamide is CN1NNN=C1NC(=O)c1ccc(OC(F)F)c(NC(=O)c2cccnc2)c1Cl.
What is the InChIKey of N-[2-chloro-6-(difluoromethoxy)-3-[(1-methyl-2,3-dihydrotetrazol-5-yl)carbamoyl]phenyl]pyridine-3-carboxamide?
The InChIKey is ZLEUBPQMSHPZIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClF2N7O3/c1-26-16(23-24-25-26)22-14(28)9-4-5-10(29-15(18)19)12(11(9)17)21-13(27)8-3-2-6-20-7-8/h2-7,15,24-25H,1H3,(H,21,27)(H,22,23,28).
What are the key properties of N-[2-chloro-6-(difluoromethoxy)-3-[(1-methyl-2,3-dihydrotetrazol-5-yl)carbamoyl]phenyl]pyridine-3-carboxamide?
N-[2-chloro-6-(difluoromethoxy)-3-[(1-methyl-2,3-dihydrotetrazol-5-yl)carbamoyl]phenyl]pyridine-3-carboxamide has a molecular weight of 425.78 g/mol, XLogP of 1.54, 5 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-chloro-6-(difluoromethoxy)-3-[(1-methyl-2,3-dihydrotetrazol-5-yl)carbamoyl]phenyl]pyridine-3-carboxamide is sourced from PubChem (CID 168840859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).