N-[[2-[(2-methylpropan-2-yl)oxy]phenyl]methyl]pyridine-2-carboxamide

C17H20N2O2 — CID 110444354

IUPACN-[[2-[(2-methylpropan-2-yl)oxy]phenyl]methyl]pyridine-2-carboxamide
SMILESCC(C)(C)Oc1ccccc1CNC(=O)c1ccccn1
InChIInChI=1S/C17H20N2O2/c1-17(2,3)21-15-10-5-4-8-13(15)12-19-16(20)14-9-6-7-11-18-14/h4-11H,12H2,1-3H3,(H,19,20)
InChIKeyZFVNISIGDMCIQC-UHFFFAOYSA-N
MW284.36 g/mol
LogP3.19
Rot. Bonds4

About N-[[2-[(2-methylpropan-2-yl)oxy]phenyl]methyl]pyridine-2-carboxamide

N-[[2-[(2-methylpropan-2-yl)oxy]phenyl]methyl]pyridine-2-carboxamide (PubChem CID 110444354) has the molecular formula C17H20N2O2 and a molecular weight of 284.36 g/mol. Its IUPAC name is N-[[2-[(2-methylpropan-2-yl)oxy]phenyl]methyl]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[[2-[(2-methylpropan-2-yl)oxy]phenyl]methyl]pyridine-2-carboxamide
PubChem CID110444354
Molecular FormulaC17H20N2O2
Molecular Weight284.36 g/mol
Exact Mass284.15
IUPAC NameN-[[2-[(2-methylpropan-2-yl)oxy]phenyl]methyl]pyridine-2-carboxamide
SMILESCC(C)(C)Oc1ccccc1CNC(=O)c1ccccn1
InChIInChI=1S/C17H20N2O2/c1-17(2,3)21-15-10-5-4-8-13(15)12-19-16(20)14-9-6-7-11-18-14/h4-11H,12H2,1-3H3,(H,19,20)
InChIKeyZFVNISIGDMCIQC-UHFFFAOYSA-N
XLogP3.19
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[2-[(pyridine-2-carbonylamino)methyl]phenyl] acetate
CID 102173247
N-[[2-[(2-methylpropan-2-yl)oxy]phenyl]methyl]-2-phenylacetamide
CID 110442352
2,2-dimethyl-N-[[2-[(2-methylpropan-2-yl)oxy]phenyl]methyl]propanamide
CID 110444704
3-chloro-N-[[2-[(2-methylpropan-2-yl)oxy]phenyl]methyl]pyridine-4-carboxamide
CID 91643727
N-[(2-methoxy-4,5-dimethylphenyl)methyl]pyridine-2-carboxamide
CID 110793646
tert-butyl N-[2-(pyridine-2-carbonylamino)ethyl]carbamate
CID 47453309
ethyl N-[[2-[(2-methylpropan-2-yl)oxy]phenyl]methyl]carbamate
CID 110445074
2-[[2-[(2-methylpropan-2-yl)oxy]phenyl]methylamino]pyridine-3-carboxylic acid
CID 167970694
N-[(2-methoxyphenyl)methyl]-4-(pyridin-2-ylmethylamino)pyridine-2-carboxamide
CID 109211945
4-(tert-butylamino)-N-[(2-methoxyphenyl)methyl]pyridine-2-carboxamide
CID 109211963
N-[(2,5-dimethylphenyl)methyl]pyridine-2-carboxamide
CID 110793358
N-[[2-[(2,2,2-trifluoroacetyl)amino]phenyl]methyl]pyridine-2-carboxamide
CID 108934218

Frequently Asked Questions

What is the IUPAC name of N-[[2-[(2-methylpropan-2-yl)oxy]phenyl]methyl]pyridine-2-carboxamide?
The IUPAC name of N-[[2-[(2-methylpropan-2-yl)oxy]phenyl]methyl]pyridine-2-carboxamide (CID 110444354) is N-[[2-[(2-methylpropan-2-yl)oxy]phenyl]methyl]pyridine-2-carboxamide.
What is the SMILES notation for N-[[2-[(2-methylpropan-2-yl)oxy]phenyl]methyl]pyridine-2-carboxamide?
The canonical SMILES for N-[[2-[(2-methylpropan-2-yl)oxy]phenyl]methyl]pyridine-2-carboxamide is CC(C)(C)Oc1ccccc1CNC(=O)c1ccccn1.
What is the InChIKey of N-[[2-[(2-methylpropan-2-yl)oxy]phenyl]methyl]pyridine-2-carboxamide?
The InChIKey is ZFVNISIGDMCIQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O2/c1-17(2,3)21-15-10-5-4-8-13(15)12-19-16(20)14-9-6-7-11-18-14/h4-11H,12H2,1-3H3,(H,19,20).
What are the key properties of N-[[2-[(2-methylpropan-2-yl)oxy]phenyl]methyl]pyridine-2-carboxamide?
N-[[2-[(2-methylpropan-2-yl)oxy]phenyl]methyl]pyridine-2-carboxamide has a molecular weight of 284.36 g/mol, XLogP of 3.19, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-[(2-methylpropan-2-yl)oxy]phenyl]methyl]pyridine-2-carboxamide is sourced from PubChem (CID 110444354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).