N-[4-(2-methoxyethoxy)-3-(tetrazol-1-yl)phenyl]pyridine-4-carboxamide

C16H16N6O3 — CID 154635315

IUPACN-[4-(2-methoxyethoxy)-3-(tetrazol-1-yl)phenyl]pyridine-4-carboxamide
SMILESCOCCOc1ccc(NC(=O)c2ccncc2)cc1-n1cnnn1
InChIInChI=1S/C16H16N6O3/c1-24-8-9-25-15-3-2-13(10-14(15)22-11-18-20-21-22)19-16(23)12-4-6-17-7-5-12/h2-7,10-11H,8-9H2,1H3,(H,19,23)
InChIKeyDEHXYXHACANCTF-UHFFFAOYSA-N
MW340.34 g/mol
LogP1.33
Rot. Bonds7

About N-[4-(2-methoxyethoxy)-3-(tetrazol-1-yl)phenyl]pyridine-4-carboxamide

N-[4-(2-methoxyethoxy)-3-(tetrazol-1-yl)phenyl]pyridine-4-carboxamide (PubChem CID 154635315) has the molecular formula C16H16N6O3 and a molecular weight of 340.34 g/mol. Its IUPAC name is N-[4-(2-methoxyethoxy)-3-(tetrazol-1-yl)phenyl]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[4-(2-methoxyethoxy)-3-(tetrazol-1-yl)phenyl]pyridine-4-carboxamide
PubChem CID154635315
Molecular FormulaC16H16N6O3
Molecular Weight340.34 g/mol
Exact Mass340.13
IUPAC NameN-[4-(2-methoxyethoxy)-3-(tetrazol-1-yl)phenyl]pyridine-4-carboxamide
SMILESCOCCOc1ccc(NC(=O)c2ccncc2)cc1-n1cnnn1
InChIInChI=1S/C16H16N6O3/c1-24-8-9-25-15-3-2-13(10-14(15)22-11-18-20-21-22)19-16(23)12-4-6-17-7-5-12/h2-7,10-11H,8-9H2,1H3,(H,19,23)
InChIKeyDEHXYXHACANCTF-UHFFFAOYSA-N
XLogP1.33
TPSA104.05 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.34
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[4-propan-2-yloxy-3-(tetrazol-1-yl)phenyl]pyridine-4-carboxamide
CID 154635330
3,4,5-trimethoxy-N-[4-methoxy-3-(tetrazol-1-yl)phenyl]benzamide
CID 50776858
N-[4-methoxy-3-(tetrazol-1-yl)phenyl]acetamide
CID 44615707
5-bromo-2-methoxy-N-[4-methoxy-3-(tetrazol-1-yl)phenyl]benzamide
CID 50776873
N-[4-methoxy-3-(tetrazol-1-yl)phenyl]-2-(methylamino)acetamide;hydrochloride
CID 119798049
N-[4-methoxy-3-(tetrazol-1-yl)phenyl]-3-methylbutanamide
CID 45491400
3,4,5-triethoxy-N-[3-methyl-4-(tetrazol-1-yl)phenyl]benzamide
CID 46569736
3-methoxy-4-propoxy-N-[4-(tetrazol-1-yl)phenyl]benzamide
CID 8004402
methyl 4-[[3-methoxy-4-(tetrazol-1-yl)benzoyl]amino]benzoate
CID 1140637
N-[4-methoxy-3-(tetrazol-1-yl)phenyl]-3-(2-phenylphenoxy)propanamide
CID 154861700
4-butoxy-3-methoxy-N-[4-(tetrazol-1-yl)phenyl]benzamide
CID 26729178
4-tert-butyl-N-[4-methyl-3-(tetrazol-1-yl)phenyl]benzamide
CID 855944

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-methoxyethoxy)-3-(tetrazol-1-yl)phenyl]pyridine-4-carboxamide?
The IUPAC name of N-[4-(2-methoxyethoxy)-3-(tetrazol-1-yl)phenyl]pyridine-4-carboxamide (CID 154635315) is N-[4-(2-methoxyethoxy)-3-(tetrazol-1-yl)phenyl]pyridine-4-carboxamide.
What is the SMILES notation for N-[4-(2-methoxyethoxy)-3-(tetrazol-1-yl)phenyl]pyridine-4-carboxamide?
The canonical SMILES for N-[4-(2-methoxyethoxy)-3-(tetrazol-1-yl)phenyl]pyridine-4-carboxamide is COCCOc1ccc(NC(=O)c2ccncc2)cc1-n1cnnn1.
What is the InChIKey of N-[4-(2-methoxyethoxy)-3-(tetrazol-1-yl)phenyl]pyridine-4-carboxamide?
The InChIKey is DEHXYXHACANCTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N6O3/c1-24-8-9-25-15-3-2-13(10-14(15)22-11-18-20-21-22)19-16(23)12-4-6-17-7-5-12/h2-7,10-11H,8-9H2,1H3,(H,19,23).
What are the key properties of N-[4-(2-methoxyethoxy)-3-(tetrazol-1-yl)phenyl]pyridine-4-carboxamide?
N-[4-(2-methoxyethoxy)-3-(tetrazol-1-yl)phenyl]pyridine-4-carboxamide has a molecular weight of 340.34 g/mol, XLogP of 1.33, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-methoxyethoxy)-3-(tetrazol-1-yl)phenyl]pyridine-4-carboxamide is sourced from PubChem (CID 154635315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).