5-chloro-6-[(3S)-oxolan-3-yl]oxy-N-[4-(tetrazol-1-yl)phenyl]pyridine-3-carboxamide

C17H15ClN6O3 — CID 124873717

IUPAC5-chloro-6-[(3S)-oxolan-3-yl]oxy-N-[4-(tetrazol-1-yl)phenyl]pyridine-3-carboxamide
SMILESO=C(Nc1ccc(-n2cnnn2)cc1)c1cnc(O[C@H]2CCOC2)c(Cl)c1
InChIInChI=1S/C17H15ClN6O3/c18-15-7-11(8-19-17(15)27-14-5-6-26-9-14)16(25)21-12-1-3-13(4-2-12)24-10-20-22-23-24/h1-4,7-8,10,14H,5-6,9H2,(H,21,25)/t14-/m0/s1
InChIKeyBMHCWMBYTOSHCD-AWEZNQCLSA-N
MW386.80 g/mol
LogP2.13
Rot. Bonds5

About 5-chloro-6-[(3S)-oxolan-3-yl]oxy-N-[4-(tetrazol-1-yl)phenyl]pyridine-3-carboxamide

5-chloro-6-[(3S)-oxolan-3-yl]oxy-N-[4-(tetrazol-1-yl)phenyl]pyridine-3-carboxamide (PubChem CID 124873717) has the molecular formula C17H15ClN6O3 and a molecular weight of 386.80 g/mol. Its IUPAC name is 5-chloro-6-[(3S)-oxolan-3-yl]oxy-N-[4-(tetrazol-1-yl)phenyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name5-chloro-6-[(3S)-oxolan-3-yl]oxy-N-[4-(tetrazol-1-yl)phenyl]pyridine-3-carboxamide
PubChem CID124873717
Molecular FormulaC17H15ClN6O3
Molecular Weight386.80 g/mol
Exact Mass386.09
IUPAC Name5-chloro-6-[(3S)-oxolan-3-yl]oxy-N-[4-(tetrazol-1-yl)phenyl]pyridine-3-carboxamide
SMILESO=C(Nc1ccc(-n2cnnn2)cc1)c1cnc(O[C@H]2CCOC2)c(Cl)c1
InChIInChI=1S/C17H15ClN6O3/c18-15-7-11(8-19-17(15)27-14-5-6-26-9-14)16(25)21-12-1-3-13(4-2-12)24-10-20-22-23-24/h1-4,7-8,10,14H,5-6,9H2,(H,21,25)/t14-/m0/s1
InChIKeyBMHCWMBYTOSHCD-AWEZNQCLSA-N
XLogP2.13
TPSA104.05 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.80
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-6-[(3S)-oxolan-3-yl]oxy-N-[4-(tetrazol-1-yl)phenyl]pyridine-3-carboxamide?
The IUPAC name of 5-chloro-6-[(3S)-oxolan-3-yl]oxy-N-[4-(tetrazol-1-yl)phenyl]pyridine-3-carboxamide (CID 124873717) is 5-chloro-6-[(3S)-oxolan-3-yl]oxy-N-[4-(tetrazol-1-yl)phenyl]pyridine-3-carboxamide.
What is the SMILES notation for 5-chloro-6-[(3S)-oxolan-3-yl]oxy-N-[4-(tetrazol-1-yl)phenyl]pyridine-3-carboxamide?
The canonical SMILES for 5-chloro-6-[(3S)-oxolan-3-yl]oxy-N-[4-(tetrazol-1-yl)phenyl]pyridine-3-carboxamide is O=C(Nc1ccc(-n2cnnn2)cc1)c1cnc(O[C@H]2CCOC2)c(Cl)c1.
What is the InChIKey of 5-chloro-6-[(3S)-oxolan-3-yl]oxy-N-[4-(tetrazol-1-yl)phenyl]pyridine-3-carboxamide?
The InChIKey is BMHCWMBYTOSHCD-AWEZNQCLSA-N. The full InChI is InChI=1S/C17H15ClN6O3/c18-15-7-11(8-19-17(15)27-14-5-6-26-9-14)16(25)21-12-1-3-13(4-2-12)24-10-20-22-23-24/h1-4,7-8,10,14H,5-6,9H2,(H,21,25)/t14-/m0/s1.
What are the key properties of 5-chloro-6-[(3S)-oxolan-3-yl]oxy-N-[4-(tetrazol-1-yl)phenyl]pyridine-3-carboxamide?
5-chloro-6-[(3S)-oxolan-3-yl]oxy-N-[4-(tetrazol-1-yl)phenyl]pyridine-3-carboxamide has a molecular weight of 386.80 g/mol, XLogP of 2.13, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-6-[(3S)-oxolan-3-yl]oxy-N-[4-(tetrazol-1-yl)phenyl]pyridine-3-carboxamide is sourced from PubChem (CID 124873717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).