N-(2-pyridin-2-ylpropan-2-yl)pentalene-1-carboxamide

C17H16N2O — CID 141292841

IUPACN-(2-pyridin-2-ylpropan-2-yl)pentalene-1-carboxamide
SMILESCC(C)(NC(=O)C1=C2C=CC=C2C=C1)c1ccccn1
InChIInChI=1S/C17H16N2O/c1-17(2,15-8-3-4-11-18-15)19-16(20)14-10-9-12-6-5-7-13(12)14/h3-11H,1-2H3,(H,19,20)
InChIKeyQWEWWOAIVHRGHE-UHFFFAOYSA-N
MW264.33 g/mol
LogP2.80
Rot. Bonds3

About N-(2-pyridin-2-ylpropan-2-yl)pentalene-1-carboxamide

N-(2-pyridin-2-ylpropan-2-yl)pentalene-1-carboxamide (PubChem CID 141292841) has the molecular formula C17H16N2O and a molecular weight of 264.33 g/mol. Its IUPAC name is N-(2-pyridin-2-ylpropan-2-yl)pentalene-1-carboxamide.

Molecular Properties

Compound NameN-(2-pyridin-2-ylpropan-2-yl)pentalene-1-carboxamide
PubChem CID141292841
Molecular FormulaC17H16N2O
Molecular Weight264.33 g/mol
Exact Mass264.13
IUPAC NameN-(2-pyridin-2-ylpropan-2-yl)pentalene-1-carboxamide
SMILESCC(C)(NC(=O)C1=C2C=CC=C2C=C1)c1ccccn1
InChIInChI=1S/C17H16N2O/c1-17(2,15-8-3-4-11-18-15)19-16(20)14-10-9-12-6-5-7-13(12)14/h3-11H,1-2H3,(H,19,20)
InChIKeyQWEWWOAIVHRGHE-UHFFFAOYSA-N
XLogP2.80
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.33
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-phenylpropan-2-yl)pentalene-1-carboxamide
CID 141292888
N-(2-pyridin-2-ylpropan-2-yl)pyridine-4-carboxamide
CID 110870482
N-(2-pyridin-2-ylpropan-2-yl)thiophene-2-carboxamide
CID 110870459
4-iodo-N-(2-pyridin-2-ylpropan-2-yl)benzamide
CID 166438575
N-tert-butyl-N-(2,2-dimethyl-1-pyridin-2-ylpropyl)pentalene-1-carboxamide
CID 159404342
2,6-di(propan-2-yl)-N-(2-pyridin-2-ylpropan-2-yl)benzamide
CID 87976563
3-chloro-2,2-dimethyl-N-(2-pyridin-2-ylpropan-2-yl)propanamide
CID 82108663
2,6-dimethyl-4-propan-2-yl-N-(2-pyridin-2-ylpropan-2-yl)benzamide
CID 132505720
1-methyl-N-(2-pyridin-2-ylpropan-2-yl)indazole-3-carboxamide
CID 166081591
2-(4-methylphenyl)-N-(2-pyridin-2-ylpropan-2-yl)acetamide
CID 113091918
2,4-dimethoxy-N-(2-pyridin-2-ylpropan-2-yl)benzamide
CID 135066856
2-(4-methylthiophen-2-yl)-N-(2-pyridin-2-ylpropan-2-yl)benzamide
CID 122380196

Frequently Asked Questions

What is the IUPAC name of N-(2-pyridin-2-ylpropan-2-yl)pentalene-1-carboxamide?
The IUPAC name of N-(2-pyridin-2-ylpropan-2-yl)pentalene-1-carboxamide (CID 141292841) is N-(2-pyridin-2-ylpropan-2-yl)pentalene-1-carboxamide.
What is the SMILES notation for N-(2-pyridin-2-ylpropan-2-yl)pentalene-1-carboxamide?
The canonical SMILES for N-(2-pyridin-2-ylpropan-2-yl)pentalene-1-carboxamide is CC(C)(NC(=O)C1=C2C=CC=C2C=C1)c1ccccn1.
What is the InChIKey of N-(2-pyridin-2-ylpropan-2-yl)pentalene-1-carboxamide?
The InChIKey is QWEWWOAIVHRGHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O/c1-17(2,15-8-3-4-11-18-15)19-16(20)14-10-9-12-6-5-7-13(12)14/h3-11H,1-2H3,(H,19,20).
What are the key properties of N-(2-pyridin-2-ylpropan-2-yl)pentalene-1-carboxamide?
N-(2-pyridin-2-ylpropan-2-yl)pentalene-1-carboxamide has a molecular weight of 264.33 g/mol, XLogP of 2.80, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-pyridin-2-ylpropan-2-yl)pentalene-1-carboxamide is sourced from PubChem (CID 141292841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).