N-(3-methyl-4-pyridin-3-yloxyphenyl)-3-phenyl-2-(tetrazol-1-yl)propanamide

C22H20N6O2 — CID 60581011

IUPACN-(3-methyl-4-pyridin-3-yloxyphenyl)-3-phenyl-2-(tetrazol-1-yl)propanamide
SMILESCc1cc(NC(=O)C(Cc2ccccc2)n2cnnn2)ccc1Oc1cccnc1
InChIInChI=1S/C22H20N6O2/c1-16-12-18(9-10-21(16)30-19-8-5-11-23-14-19)25-22(29)20(28-15-24-26-27-28)13-17-6-3-2-4-7-17/h2-12,14-15,20H,13H2,1H3,(H,25,29)
InChIKeyPGEOYALNZLIPPF-UHFFFAOYSA-N
MW400.44 g/mol
LogP3.59
Rot. Bonds7

About N-(3-methyl-4-pyridin-3-yloxyphenyl)-3-phenyl-2-(tetrazol-1-yl)propanamide

N-(3-methyl-4-pyridin-3-yloxyphenyl)-3-phenyl-2-(tetrazol-1-yl)propanamide (PubChem CID 60581011) has the molecular formula C22H20N6O2 and a molecular weight of 400.44 g/mol. Its IUPAC name is N-(3-methyl-4-pyridin-3-yloxyphenyl)-3-phenyl-2-(tetrazol-1-yl)propanamide.

Molecular Properties

Compound NameN-(3-methyl-4-pyridin-3-yloxyphenyl)-3-phenyl-2-(tetrazol-1-yl)propanamide
PubChem CID60581011
Molecular FormulaC22H20N6O2
Molecular Weight400.44 g/mol
Exact Mass400.16
IUPAC NameN-(3-methyl-4-pyridin-3-yloxyphenyl)-3-phenyl-2-(tetrazol-1-yl)propanamide
SMILESCc1cc(NC(=O)C(Cc2ccccc2)n2cnnn2)ccc1Oc1cccnc1
InChIInChI=1S/C22H20N6O2/c1-16-12-18(9-10-21(16)30-19-8-5-11-23-14-19)25-22(29)20(28-15-24-26-27-28)13-17-6-3-2-4-7-17/h2-12,14-15,20H,13H2,1H3,(H,25,29)
InChIKeyPGEOYALNZLIPPF-UHFFFAOYSA-N
XLogP3.59
TPSA94.82 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.44
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

3-phenyl-N-pyridin-3-yl-2-(tetrazol-1-yl)propanamide
CID 47016922
3-methyl-N-(3-methyl-4-pyridin-3-yloxyphenyl)-2-[(2-phenylacetyl)amino]butanamide
CID 60581087
N-[1-(3-methyl-4-pyridin-3-yloxyanilino)-1-oxo-3-phenylpropan-2-yl]thiophene-2-carboxamide
CID 60582304
(2S)-N-(4-methyl-2-oxo-1H-quinolin-7-yl)-3-phenyl-2-(tetrazol-1-yl)propanamide
CID 125431705
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-phenyl-2-(tetrazol-1-yl)propanamide
CID 51229017
N-(3-methyl-4-pyridin-3-yloxyphenyl)-3-phenylprop-2-ynamide
CID 166220719
3-phenyl-N-[3-(pyrazol-1-ylmethyl)phenyl]-2-(tetrazol-1-yl)propanamide
CID 55610798
propyl 4-[[3-phenyl-2-(tetrazol-1-yl)propanoyl]amino]benzoate
CID 74661614
(2S)-N-(2-ethoxyphenyl)-3-phenyl-2-(tetrazol-1-yl)propanamide
CID 51981117
3-phenyl-N-[4-(sulfamoylmethyl)phenyl]-2-(tetrazol-1-yl)propanamide
CID 24669149
(2R)-3-phenyl-N-prop-2-ynyl-2-(tetrazol-1-yl)propanamide
CID 94393857
3-phenyl-2-(tetrazol-1-yl)-N-[4-[(1,3,5-trimethylpyrazol-4-yl)methyl]phenyl]propanamide
CID 171132478

Frequently Asked Questions

What is the IUPAC name of N-(3-methyl-4-pyridin-3-yloxyphenyl)-3-phenyl-2-(tetrazol-1-yl)propanamide?
The IUPAC name of N-(3-methyl-4-pyridin-3-yloxyphenyl)-3-phenyl-2-(tetrazol-1-yl)propanamide (CID 60581011) is N-(3-methyl-4-pyridin-3-yloxyphenyl)-3-phenyl-2-(tetrazol-1-yl)propanamide.
What is the SMILES notation for N-(3-methyl-4-pyridin-3-yloxyphenyl)-3-phenyl-2-(tetrazol-1-yl)propanamide?
The canonical SMILES for N-(3-methyl-4-pyridin-3-yloxyphenyl)-3-phenyl-2-(tetrazol-1-yl)propanamide is Cc1cc(NC(=O)C(Cc2ccccc2)n2cnnn2)ccc1Oc1cccnc1.
What is the InChIKey of N-(3-methyl-4-pyridin-3-yloxyphenyl)-3-phenyl-2-(tetrazol-1-yl)propanamide?
The InChIKey is PGEOYALNZLIPPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N6O2/c1-16-12-18(9-10-21(16)30-19-8-5-11-23-14-19)25-22(29)20(28-15-24-26-27-28)13-17-6-3-2-4-7-17/h2-12,14-15,20H,13H2,1H3,(H,25,29).
What are the key properties of N-(3-methyl-4-pyridin-3-yloxyphenyl)-3-phenyl-2-(tetrazol-1-yl)propanamide?
N-(3-methyl-4-pyridin-3-yloxyphenyl)-3-phenyl-2-(tetrazol-1-yl)propanamide has a molecular weight of 400.44 g/mol, XLogP of 3.59, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methyl-4-pyridin-3-yloxyphenyl)-3-phenyl-2-(tetrazol-1-yl)propanamide is sourced from PubChem (CID 60581011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).