4-chloro-N-[2-methyl-5-(tetrazol-1-yl)phenyl]pyridine-2-carboxamide

C14H11ClN6O — CID 47047464

IUPAC4-chloro-N-[2-methyl-5-(tetrazol-1-yl)phenyl]pyridine-2-carboxamide
SMILESCc1ccc(-n2cnnn2)cc1NC(=O)c1cc(Cl)ccn1
InChIInChI=1S/C14H11ClN6O/c1-9-2-3-11(21-8-17-19-20-21)7-12(9)18-14(22)13-6-10(15)4-5-16-13/h2-8H,1H3,(H,18,22)
InChIKeyRLNXEVBJPXOESZ-UHFFFAOYSA-N
MW314.74 g/mol
LogP2.27
Rot. Bonds3

About 4-chloro-N-[2-methyl-5-(tetrazol-1-yl)phenyl]pyridine-2-carboxamide

4-chloro-N-[2-methyl-5-(tetrazol-1-yl)phenyl]pyridine-2-carboxamide (PubChem CID 47047464) has the molecular formula C14H11ClN6O and a molecular weight of 314.74 g/mol. Its IUPAC name is 4-chloro-N-[2-methyl-5-(tetrazol-1-yl)phenyl]pyridine-2-carboxamide.

Molecular Properties

Compound Name4-chloro-N-[2-methyl-5-(tetrazol-1-yl)phenyl]pyridine-2-carboxamide
PubChem CID47047464
Molecular FormulaC14H11ClN6O
Molecular Weight314.74 g/mol
Exact Mass314.07
IUPAC Name4-chloro-N-[2-methyl-5-(tetrazol-1-yl)phenyl]pyridine-2-carboxamide
SMILESCc1ccc(-n2cnnn2)cc1NC(=O)c1cc(Cl)ccn1
InChIInChI=1S/C14H11ClN6O/c1-9-2-3-11(21-8-17-19-20-21)7-12(9)18-14(22)13-6-10(15)4-5-16-13/h2-8H,1H3,(H,18,22)
InChIKeyRLNXEVBJPXOESZ-UHFFFAOYSA-N
XLogP2.27
TPSA85.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.74
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[2-methyl-5-(tetrazol-1-yl)phenyl]pyridine-2-carboxamide?
The IUPAC name of 4-chloro-N-[2-methyl-5-(tetrazol-1-yl)phenyl]pyridine-2-carboxamide (CID 47047464) is 4-chloro-N-[2-methyl-5-(tetrazol-1-yl)phenyl]pyridine-2-carboxamide.
What is the SMILES notation for 4-chloro-N-[2-methyl-5-(tetrazol-1-yl)phenyl]pyridine-2-carboxamide?
The canonical SMILES for 4-chloro-N-[2-methyl-5-(tetrazol-1-yl)phenyl]pyridine-2-carboxamide is Cc1ccc(-n2cnnn2)cc1NC(=O)c1cc(Cl)ccn1.
What is the InChIKey of 4-chloro-N-[2-methyl-5-(tetrazol-1-yl)phenyl]pyridine-2-carboxamide?
The InChIKey is RLNXEVBJPXOESZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClN6O/c1-9-2-3-11(21-8-17-19-20-21)7-12(9)18-14(22)13-6-10(15)4-5-16-13/h2-8H,1H3,(H,18,22).
What are the key properties of 4-chloro-N-[2-methyl-5-(tetrazol-1-yl)phenyl]pyridine-2-carboxamide?
4-chloro-N-[2-methyl-5-(tetrazol-1-yl)phenyl]pyridine-2-carboxamide has a molecular weight of 314.74 g/mol, XLogP of 2.27, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[2-methyl-5-(tetrazol-1-yl)phenyl]pyridine-2-carboxamide is sourced from PubChem (CID 47047464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).