N-(3-methyl-4-pyridin-3-yloxyphenyl)-3-phenylprop-2-ynamide

C21H16N2O2 — CID 166220719

IUPACN-(3-methyl-4-pyridin-3-yloxyphenyl)-3-phenylprop-2-ynamide
SMILESCc1cc(NC(=O)C#Cc2ccccc2)ccc1Oc1cccnc1
InChIInChI=1S/C21H16N2O2/c1-16-14-18(10-11-20(16)25-19-8-5-13-22-15-19)23-21(24)12-9-17-6-3-2-4-7-17/h2-8,10-11,13-15H,1H3,(H,23,24)
InChIKeyDHSAKWXYIWXVBA-UHFFFAOYSA-N
MW328.37 g/mol
LogP4.17
Rot. Bonds3

About N-(3-methyl-4-pyridin-3-yloxyphenyl)-3-phenylprop-2-ynamide

N-(3-methyl-4-pyridin-3-yloxyphenyl)-3-phenylprop-2-ynamide (PubChem CID 166220719) has the molecular formula C21H16N2O2 and a molecular weight of 328.37 g/mol. Its IUPAC name is N-(3-methyl-4-pyridin-3-yloxyphenyl)-3-phenylprop-2-ynamide.

Molecular Properties

Compound NameN-(3-methyl-4-pyridin-3-yloxyphenyl)-3-phenylprop-2-ynamide
PubChem CID166220719
Molecular FormulaC21H16N2O2
Molecular Weight328.37 g/mol
Exact Mass328.12
IUPAC NameN-(3-methyl-4-pyridin-3-yloxyphenyl)-3-phenylprop-2-ynamide
SMILESCc1cc(NC(=O)C#Cc2ccccc2)ccc1Oc1cccnc1
InChIInChI=1S/C21H16N2O2/c1-16-14-18(10-11-20(16)25-19-8-5-13-22-15-19)23-21(24)12-9-17-6-3-2-4-7-17/h2-8,10-11,13-15H,1H3,(H,23,24)
InChIKeyDHSAKWXYIWXVBA-UHFFFAOYSA-N
XLogP4.17
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.37
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3,3-dimethyl-5-(3-methyl-4-pyridin-3-yloxyanilino)-5-oxopentanoic acid
CID 47704346
3-methyl-N-(3-methyl-4-pyridin-3-yloxyphenyl)-2-[(2-phenylacetyl)amino]butanamide
CID 60581087
N-isoquinolin-6-yl-3-phenylprop-2-ynamide
CID 135200057
3-methyl-1-[(3-methyl-4-pyridin-3-yloxyphenyl)carbamoyl]pyrrolidine-3-carboxylic acid
CID 122077887
1-amino-N-(3-methyl-4-pyridin-3-yloxyphenyl)cyclopentane-1-carboxamide;dihydrochloride
CID 119864481
3-(4-methylphenyl)-N-(3-methyl-4-pyridin-3-yloxyphenyl)propanamide
CID 60581343
7-amino-N-(3-methyl-4-pyridin-3-yloxyphenyl)heptanamide
CID 119864464
3-hydroxy-3-methyl-N-(3-methyl-4-pyridin-3-yloxyphenyl)pyrrolidine-1-carboxamide
CID 119043741
(1R,2R,3S,4R)-3-[(3-methyl-4-pyridin-3-yloxyphenyl)carbamoyl]bicyclo[2.2.1]hept-5-ene-2-carboxylic acid
CID 124809901
(E)-N-(3-methyl-4-pyridin-3-yloxyphenyl)-3-(1-phenylpyrazol-4-yl)prop-2-enamide
CID 60581339
N-(3-methyl-4-pyridin-3-yloxyphenyl)-3-phenyl-2-(tetrazol-1-yl)propanamide
CID 60581011
5-ethyl-N-(3-methyl-4-pyridin-3-yloxyphenyl)-1-phenylpyrazole-4-carboxamide
CID 60581323

Frequently Asked Questions

What is the IUPAC name of N-(3-methyl-4-pyridin-3-yloxyphenyl)-3-phenylprop-2-ynamide?
The IUPAC name of N-(3-methyl-4-pyridin-3-yloxyphenyl)-3-phenylprop-2-ynamide (CID 166220719) is N-(3-methyl-4-pyridin-3-yloxyphenyl)-3-phenylprop-2-ynamide.
What is the SMILES notation for N-(3-methyl-4-pyridin-3-yloxyphenyl)-3-phenylprop-2-ynamide?
The canonical SMILES for N-(3-methyl-4-pyridin-3-yloxyphenyl)-3-phenylprop-2-ynamide is Cc1cc(NC(=O)C#Cc2ccccc2)ccc1Oc1cccnc1.
What is the InChIKey of N-(3-methyl-4-pyridin-3-yloxyphenyl)-3-phenylprop-2-ynamide?
The InChIKey is DHSAKWXYIWXVBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16N2O2/c1-16-14-18(10-11-20(16)25-19-8-5-13-22-15-19)23-21(24)12-9-17-6-3-2-4-7-17/h2-8,10-11,13-15H,1H3,(H,23,24).
What are the key properties of N-(3-methyl-4-pyridin-3-yloxyphenyl)-3-phenylprop-2-ynamide?
N-(3-methyl-4-pyridin-3-yloxyphenyl)-3-phenylprop-2-ynamide has a molecular weight of 328.37 g/mol, XLogP of 4.17, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methyl-4-pyridin-3-yloxyphenyl)-3-phenylprop-2-ynamide is sourced from PubChem (CID 166220719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).