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

C17H13ClF5N7O3 — CID 168840860

IUPACN-[2-chloro-6-(difluoromethoxy)-3-[(1-methyl-2,3-dihydrotetrazol-5-yl)carbamoyl]phenyl]-6-(trifluoromethyl)pyridine-3-carboxamide
SMILESCN1NNN=C1NC(=O)c1ccc(OC(F)F)c(NC(=O)c2ccc(C(F)(F)F)nc2)c1Cl
InChIInChI=1S/C17H13ClF5N7O3/c1-30-16(27-28-29-30)26-14(32)8-3-4-9(33-15(19)20)12(11(8)18)25-13(31)7-2-5-10(24-6-7)17(21,22)23/h2-6,15,28-29H,1H3,(H,25,31)(H,26,27,32)
InChIKeyVMSBCCJOUWMBFU-UHFFFAOYSA-N
MW493.78 g/mol
LogP2.56
Rot. Bonds5

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

N-[2-chloro-6-(difluoromethoxy)-3-[(1-methyl-2,3-dihydrotetrazol-5-yl)carbamoyl]phenyl]-6-(trifluoromethyl)pyridine-3-carboxamide (PubChem CID 168840860) has the molecular formula C17H13ClF5N7O3 and a molecular weight of 493.78 g/mol. Its IUPAC name is N-[2-chloro-6-(difluoromethoxy)-3-[(1-methyl-2,3-dihydrotetrazol-5-yl)carbamoyl]phenyl]-6-(trifluoromethyl)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[2-chloro-6-(difluoromethoxy)-3-[(1-methyl-2,3-dihydrotetrazol-5-yl)carbamoyl]phenyl]-6-(trifluoromethyl)pyridine-3-carboxamide
PubChem CID168840860
Molecular FormulaC17H13ClF5N7O3
Molecular Weight493.78 g/mol
Exact Mass493.07
IUPAC NameN-[2-chloro-6-(difluoromethoxy)-3-[(1-methyl-2,3-dihydrotetrazol-5-yl)carbamoyl]phenyl]-6-(trifluoromethyl)pyridine-3-carboxamide
SMILESCN1NNN=C1NC(=O)c1ccc(OC(F)F)c(NC(=O)c2ccc(C(F)(F)F)nc2)c1Cl
InChIInChI=1S/C17H13ClF5N7O3/c1-30-16(27-28-29-30)26-14(32)8-3-4-9(33-15(19)20)12(11(8)18)25-13(31)7-2-5-10(24-6-7)17(21,22)23/h2-6,15,28-29H,1H3,(H,25,31)(H,26,27,32)
InChIKeyVMSBCCJOUWMBFU-UHFFFAOYSA-N
XLogP2.56
TPSA119.98 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500493.78
LogP ≤ 52.56
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[2-chloro-6-(difluoromethoxy)-3-[(1-methyl-2,3-dihydrotetrazol-5-yl)carbamoyl]phenyl]-6-(trifluoromethyl)pyridine-3-carboxamide?
The IUPAC name of N-[2-chloro-6-(difluoromethoxy)-3-[(1-methyl-2,3-dihydrotetrazol-5-yl)carbamoyl]phenyl]-6-(trifluoromethyl)pyridine-3-carboxamide (CID 168840860) is N-[2-chloro-6-(difluoromethoxy)-3-[(1-methyl-2,3-dihydrotetrazol-5-yl)carbamoyl]phenyl]-6-(trifluoromethyl)pyridine-3-carboxamide.
What is the SMILES notation for N-[2-chloro-6-(difluoromethoxy)-3-[(1-methyl-2,3-dihydrotetrazol-5-yl)carbamoyl]phenyl]-6-(trifluoromethyl)pyridine-3-carboxamide?
The canonical SMILES for N-[2-chloro-6-(difluoromethoxy)-3-[(1-methyl-2,3-dihydrotetrazol-5-yl)carbamoyl]phenyl]-6-(trifluoromethyl)pyridine-3-carboxamide is CN1NNN=C1NC(=O)c1ccc(OC(F)F)c(NC(=O)c2ccc(C(F)(F)F)nc2)c1Cl.
What is the InChIKey of N-[2-chloro-6-(difluoromethoxy)-3-[(1-methyl-2,3-dihydrotetrazol-5-yl)carbamoyl]phenyl]-6-(trifluoromethyl)pyridine-3-carboxamide?
The InChIKey is VMSBCCJOUWMBFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13ClF5N7O3/c1-30-16(27-28-29-30)26-14(32)8-3-4-9(33-15(19)20)12(11(8)18)25-13(31)7-2-5-10(24-6-7)17(21,22)23/h2-6,15,28-29H,1H3,(H,25,31)(H,26,27,32).
What are the key properties of N-[2-chloro-6-(difluoromethoxy)-3-[(1-methyl-2,3-dihydrotetrazol-5-yl)carbamoyl]phenyl]-6-(trifluoromethyl)pyridine-3-carboxamide?
N-[2-chloro-6-(difluoromethoxy)-3-[(1-methyl-2,3-dihydrotetrazol-5-yl)carbamoyl]phenyl]-6-(trifluoromethyl)pyridine-3-carboxamide has a molecular weight of 493.78 g/mol, XLogP of 2.56, 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]-6-(trifluoromethyl)pyridine-3-carboxamide is sourced from PubChem (CID 168840860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).