N-[4-(3-methylbutoxy)-3-(tetrazol-1-yl)phenyl]pyridine-4-carboxamide

C18H20N6O2 — CID 154635318

IUPACN-[4-(3-methylbutoxy)-3-(tetrazol-1-yl)phenyl]pyridine-4-carboxamide
SMILESCC(C)CCOc1ccc(NC(=O)c2ccncc2)cc1-n1cnnn1
InChIInChI=1S/C18H20N6O2/c1-13(2)7-10-26-17-4-3-15(11-16(17)24-12-20-22-23-24)21-18(25)14-5-8-19-9-6-14/h3-6,8-9,11-13H,7,10H2,1-2H3,(H,21,25)
InChIKeyJTBPIHQIODVQHY-UHFFFAOYSA-N
MW352.40 g/mol
LogP2.73
Rot. Bonds7

About N-[4-(3-methylbutoxy)-3-(tetrazol-1-yl)phenyl]pyridine-4-carboxamide

N-[4-(3-methylbutoxy)-3-(tetrazol-1-yl)phenyl]pyridine-4-carboxamide (PubChem CID 154635318) has the molecular formula C18H20N6O2 and a molecular weight of 352.40 g/mol. Its IUPAC name is N-[4-(3-methylbutoxy)-3-(tetrazol-1-yl)phenyl]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[4-(3-methylbutoxy)-3-(tetrazol-1-yl)phenyl]pyridine-4-carboxamide
PubChem CID154635318
Molecular FormulaC18H20N6O2
Molecular Weight352.40 g/mol
Exact Mass352.16
IUPAC NameN-[4-(3-methylbutoxy)-3-(tetrazol-1-yl)phenyl]pyridine-4-carboxamide
SMILESCC(C)CCOc1ccc(NC(=O)c2ccncc2)cc1-n1cnnn1
InChIInChI=1S/C18H20N6O2/c1-13(2)7-10-26-17-4-3-15(11-16(17)24-12-20-22-23-24)21-18(25)14-5-8-19-9-6-14/h3-6,8-9,11-13H,7,10H2,1-2H3,(H,21,25)
InChIKeyJTBPIHQIODVQHY-UHFFFAOYSA-N
XLogP2.73
TPSA94.82 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.40
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[4-(3-methylbutoxy)-3-(tetrazol-1-yl)phenyl]pyridine-4-carboxamide?
The IUPAC name of N-[4-(3-methylbutoxy)-3-(tetrazol-1-yl)phenyl]pyridine-4-carboxamide (CID 154635318) is N-[4-(3-methylbutoxy)-3-(tetrazol-1-yl)phenyl]pyridine-4-carboxamide.
What is the SMILES notation for N-[4-(3-methylbutoxy)-3-(tetrazol-1-yl)phenyl]pyridine-4-carboxamide?
The canonical SMILES for N-[4-(3-methylbutoxy)-3-(tetrazol-1-yl)phenyl]pyridine-4-carboxamide is CC(C)CCOc1ccc(NC(=O)c2ccncc2)cc1-n1cnnn1.
What is the InChIKey of N-[4-(3-methylbutoxy)-3-(tetrazol-1-yl)phenyl]pyridine-4-carboxamide?
The InChIKey is JTBPIHQIODVQHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N6O2/c1-13(2)7-10-26-17-4-3-15(11-16(17)24-12-20-22-23-24)21-18(25)14-5-8-19-9-6-14/h3-6,8-9,11-13H,7,10H2,1-2H3,(H,21,25).
What are the key properties of N-[4-(3-methylbutoxy)-3-(tetrazol-1-yl)phenyl]pyridine-4-carboxamide?
N-[4-(3-methylbutoxy)-3-(tetrazol-1-yl)phenyl]pyridine-4-carboxamide has a molecular weight of 352.40 g/mol, XLogP of 2.73, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3-methylbutoxy)-3-(tetrazol-1-yl)phenyl]pyridine-4-carboxamide is sourced from PubChem (CID 154635318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).