3-pyridin-3-yl-N-[4-(2H-tetrazol-5-yloxy)phenyl]propanamide

C15H14N6O2 — CID 131892802

IUPAC3-pyridin-3-yl-N-[4-(2H-tetrazol-5-yloxy)phenyl]propanamide
SMILESO=C(CCc1cccnc1)Nc1ccc(Oc2nn[nH]n2)cc1
InChIInChI=1S/C15H14N6O2/c22-14(8-3-11-2-1-9-16-10-11)17-12-4-6-13(7-5-12)23-15-18-20-21-19-15/h1-2,4-7,9-10H,3,8H2,(H,17,22)(H,18,19,20,21)
InChIKeyCNJNAWQPFLBNPL-UHFFFAOYSA-N
MW310.32 g/mol
LogP1.96
Rot. Bonds6

About 3-pyridin-3-yl-N-[4-(2H-tetrazol-5-yloxy)phenyl]propanamide

3-pyridin-3-yl-N-[4-(2H-tetrazol-5-yloxy)phenyl]propanamide (PubChem CID 131892802) has the molecular formula C15H14N6O2 and a molecular weight of 310.32 g/mol. Its IUPAC name is 3-pyridin-3-yl-N-[4-(2H-tetrazol-5-yloxy)phenyl]propanamide.

Molecular Properties

Compound Name3-pyridin-3-yl-N-[4-(2H-tetrazol-5-yloxy)phenyl]propanamide
PubChem CID131892802
Molecular FormulaC15H14N6O2
Molecular Weight310.32 g/mol
Exact Mass310.12
IUPAC Name3-pyridin-3-yl-N-[4-(2H-tetrazol-5-yloxy)phenyl]propanamide
SMILESO=C(CCc1cccnc1)Nc1ccc(Oc2nn[nH]n2)cc1
InChIInChI=1S/C15H14N6O2/c22-14(8-3-11-2-1-9-16-10-11)17-12-4-6-13(7-5-12)23-15-18-20-21-19-15/h1-2,4-7,9-10H,3,8H2,(H,17,22)(H,18,19,20,21)
InChIKeyCNJNAWQPFLBNPL-UHFFFAOYSA-N
XLogP1.96
TPSA105.68 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.32
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[4-(4-cyanophenoxy)phenyl]-3-pyridin-3-ylpropanamide
CID 48872559
N-(4-iodophenyl)-3-pyridin-3-ylpropanamide
CID 9206675
2-[4-(3-pyridin-3-ylpropanoylamino)phenyl]acetic acid
CID 43358510
N-[4-(2H-tetrazol-5-yloxy)phenyl]-4-(1,2,4-triazol-1-yl)butanamide
CID 131920439
3-(3-phenyl-1,2,4-oxadiazol-5-yl)-N-[4-(2H-tetrazol-5-yloxy)phenyl]propanamide
CID 131948776
3-(5-methyltetrazol-1-yl)-N-[4-(2H-tetrazol-5-yloxy)phenyl]propanamide
CID 131893929
N-[4-(cyclopropylcarbamoylamino)phenyl]-3-pyridin-3-ylpropanamide
CID 37294420
N-(4-morpholin-4-ylphenyl)-3-pyridin-3-ylpropanamide
CID 35147983
N-[2-(4-methoxyanilino)-2-oxoethyl]-N-methyl-3-pyridin-3-ylpropanamide
CID 40718725
3-phenyl-N-[4-(pyridin-3-ylmethylsulfanyl)phenyl]propanamide
CID 36542434
N-[3-(2-aminoethoxy)phenyl]-3-pyridin-3-ylpropanamide
CID 81485538
N-[2-(4-ethoxyphenoxy)phenyl]-3-pyridin-3-ylpropanamide
CID 29224760

Frequently Asked Questions

What is the IUPAC name of 3-pyridin-3-yl-N-[4-(2H-tetrazol-5-yloxy)phenyl]propanamide?
The IUPAC name of 3-pyridin-3-yl-N-[4-(2H-tetrazol-5-yloxy)phenyl]propanamide (CID 131892802) is 3-pyridin-3-yl-N-[4-(2H-tetrazol-5-yloxy)phenyl]propanamide.
What is the SMILES notation for 3-pyridin-3-yl-N-[4-(2H-tetrazol-5-yloxy)phenyl]propanamide?
The canonical SMILES for 3-pyridin-3-yl-N-[4-(2H-tetrazol-5-yloxy)phenyl]propanamide is O=C(CCc1cccnc1)Nc1ccc(Oc2nn[nH]n2)cc1.
What is the InChIKey of 3-pyridin-3-yl-N-[4-(2H-tetrazol-5-yloxy)phenyl]propanamide?
The InChIKey is CNJNAWQPFLBNPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N6O2/c22-14(8-3-11-2-1-9-16-10-11)17-12-4-6-13(7-5-12)23-15-18-20-21-19-15/h1-2,4-7,9-10H,3,8H2,(H,17,22)(H,18,19,20,21).
What are the key properties of 3-pyridin-3-yl-N-[4-(2H-tetrazol-5-yloxy)phenyl]propanamide?
3-pyridin-3-yl-N-[4-(2H-tetrazol-5-yloxy)phenyl]propanamide has a molecular weight of 310.32 g/mol, XLogP of 1.96, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-pyridin-3-yl-N-[4-(2H-tetrazol-5-yloxy)phenyl]propanamide is sourced from PubChem (CID 131892802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).