N-methyl-N-(naphthalen-2-ylmethyl)-1H-pyrrole-2-carboxamide

C17H16N2O — CID 39967874

IUPACN-methyl-N-(naphthalen-2-ylmethyl)-1H-pyrrole-2-carboxamide
SMILESCN(Cc1ccc2ccccc2c1)C(=O)c1ccc[nH]1
InChIInChI=1S/C17H16N2O/c1-19(17(20)16-7-4-10-18-16)12-13-8-9-14-5-2-3-6-15(14)11-13/h2-11,18H,12H2,1H3
InChIKeyADUXWGAXVHUHSM-UHFFFAOYSA-N
MW264.33 g/mol
LogP3.44
Rot. Bonds3

About N-methyl-N-(naphthalen-2-ylmethyl)-1H-pyrrole-2-carboxamide

N-methyl-N-(naphthalen-2-ylmethyl)-1H-pyrrole-2-carboxamide (PubChem CID 39967874) has the molecular formula C17H16N2O and a molecular weight of 264.33 g/mol. Its IUPAC name is N-methyl-N-(naphthalen-2-ylmethyl)-1H-pyrrole-2-carboxamide.

Molecular Properties

Compound NameN-methyl-N-(naphthalen-2-ylmethyl)-1H-pyrrole-2-carboxamide
PubChem CID39967874
Molecular FormulaC17H16N2O
Molecular Weight264.33 g/mol
Exact Mass264.13
IUPAC NameN-methyl-N-(naphthalen-2-ylmethyl)-1H-pyrrole-2-carboxamide
SMILESCN(Cc1ccc2ccccc2c1)C(=O)c1ccc[nH]1
InChIInChI=1S/C17H16N2O/c1-19(17(20)16-7-4-10-18-16)12-13-8-9-14-5-2-3-6-15(14)11-13/h2-11,18H,12H2,1H3
InChIKeyADUXWGAXVHUHSM-UHFFFAOYSA-N
XLogP3.44
TPSA36.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.33
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-amino-N-methyl-N-(naphthalen-2-ylmethyl)-1H-pyrazole-5-carboxamide
CID 64523494
4-(dimethylamino)-N-methyl-N-(naphthalen-2-ylmethyl)benzamide
CID 27848229
3-ethyl-1-methyl-1-(naphthalen-2-ylmethyl)urea
CID 34711127
5-bromo-N-methyl-N-(naphthalen-2-ylmethyl)thiophene-2-carboxamide
CID 60646059
N-methyl-N-(naphthalen-2-ylmethyl)prop-2-enamide
CID 54874632
2-bromo-N,2-dimethyl-N-(naphthalen-2-ylmethyl)propanamide
CID 114328072
3-amino-N-methyl-N-(naphthalen-2-ylmethyl)propanamide;hydrochloride
CID 119270375
2-amino-N,2-dimethyl-N-(naphthalen-2-ylmethyl)propanamide
CID 61264255
5-bromo-2-hydroxy-N-methyl-N-(naphthalen-2-ylmethyl)benzamide
CID 43016464
N-methyl-2-[(2-methylpropan-2-yl)oxy]-N-(naphthalen-2-ylmethyl)acetamide
CID 115950185
2-amino-N,2-dimethyl-N-(naphthalen-2-ylmethyl)propanamide;hydrochloride
CID 119270374
N-[(4-fluorophenyl)methyl]-N-methyl-2-[methyl(naphthalen-2-ylmethyl)amino]acetamide
CID 27073013

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(naphthalen-2-ylmethyl)-1H-pyrrole-2-carboxamide?
The IUPAC name of N-methyl-N-(naphthalen-2-ylmethyl)-1H-pyrrole-2-carboxamide (CID 39967874) is N-methyl-N-(naphthalen-2-ylmethyl)-1H-pyrrole-2-carboxamide.
What is the SMILES notation for N-methyl-N-(naphthalen-2-ylmethyl)-1H-pyrrole-2-carboxamide?
The canonical SMILES for N-methyl-N-(naphthalen-2-ylmethyl)-1H-pyrrole-2-carboxamide is CN(Cc1ccc2ccccc2c1)C(=O)c1ccc[nH]1.
What is the InChIKey of N-methyl-N-(naphthalen-2-ylmethyl)-1H-pyrrole-2-carboxamide?
The InChIKey is ADUXWGAXVHUHSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O/c1-19(17(20)16-7-4-10-18-16)12-13-8-9-14-5-2-3-6-15(14)11-13/h2-11,18H,12H2,1H3.
What are the key properties of N-methyl-N-(naphthalen-2-ylmethyl)-1H-pyrrole-2-carboxamide?
N-methyl-N-(naphthalen-2-ylmethyl)-1H-pyrrole-2-carboxamide has a molecular weight of 264.33 g/mol, XLogP of 3.44, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(naphthalen-2-ylmethyl)-1H-pyrrole-2-carboxamide is sourced from PubChem (CID 39967874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).