1-(difluoromethyl)-5-methyl-N-propyl-N-(pyridin-3-ylmethyl)pyrrole-2-carboxamide

C16H19F2N3O — CID 121498039

IUPAC1-(difluoromethyl)-5-methyl-N-propyl-N-(pyridin-3-ylmethyl)pyrrole-2-carboxamide
SMILESCCCN(Cc1cccnc1)C(=O)c1ccc(C)n1C(F)F
InChIInChI=1S/C16H19F2N3O/c1-3-9-20(11-13-5-4-8-19-10-13)15(22)14-7-6-12(2)21(14)16(17)18/h4-8,10,16H,3,9,11H2,1-2H3
InChIKeyRHXDCJLKUIBHGZ-UHFFFAOYSA-N
MW307.34 g/mol
LogP3.64
Rot. Bonds6

About 1-(difluoromethyl)-5-methyl-N-propyl-N-(pyridin-3-ylmethyl)pyrrole-2-carboxamide

1-(difluoromethyl)-5-methyl-N-propyl-N-(pyridin-3-ylmethyl)pyrrole-2-carboxamide (PubChem CID 121498039) has the molecular formula C16H19F2N3O and a molecular weight of 307.34 g/mol. Its IUPAC name is 1-(difluoromethyl)-5-methyl-N-propyl-N-(pyridin-3-ylmethyl)pyrrole-2-carboxamide.

Molecular Properties

Compound Name1-(difluoromethyl)-5-methyl-N-propyl-N-(pyridin-3-ylmethyl)pyrrole-2-carboxamide
PubChem CID121498039
Molecular FormulaC16H19F2N3O
Molecular Weight307.34 g/mol
Exact Mass307.15
IUPAC Name1-(difluoromethyl)-5-methyl-N-propyl-N-(pyridin-3-ylmethyl)pyrrole-2-carboxamide
SMILESCCCN(Cc1cccnc1)C(=O)c1ccc(C)n1C(F)F
InChIInChI=1S/C16H19F2N3O/c1-3-9-20(11-13-5-4-8-19-10-13)15(22)14-7-6-12(2)21(14)16(17)18/h4-8,10,16H,3,9,11H2,1-2H3
InChIKeyRHXDCJLKUIBHGZ-UHFFFAOYSA-N
XLogP3.64
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.34
LogP ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-N-propyl-N-(pyridin-3-ylmethyl)benzamide
CID 89323235
N-propyl-N-(pyridin-3-ylmethyl)-1,3-thiazole-4-carboxamide
CID 29151812
N,N-dipropyl-4-(pyridin-3-ylmethylsulfamoyl)benzamide
CID 109060934
3-[(4-fluorobenzoyl)-(pyridin-3-ylmethyl)amino]propanoic acid
CID 82324870
N-propyl-N-(2-pyridin-3-ylethyl)propanamide
CID 10262913
1-(difluoromethyl)-5-methyl-N-[(1R)-2-methyl-1-pyridin-3-ylpropyl]pyrrole-2-carboxamide
CID 125441697
2-(2-methoxyphenyl)-N-propyl-N-(pyridin-3-ylmethyl)acetamide
CID 46997861
N-[2-(dimethylamino)ethyl]-N-(pyridin-3-ylmethyl)propanamide
CID 61243414
N-butyl-2-(4-methylpyrazol-1-yl)-N-(pyridin-3-ylmethyl)propanamide
CID 131929356
2-bromo-N-[2-(dimethylamino)ethyl]-N-(pyridin-3-ylmethyl)propanamide
CID 107904634
N-[2-[octyl(pyridin-3-ylmethyl)amino]-2-oxoethyl]pyridine-3-carboxamide
CID 42778869
N-butyl-N-propylpyridine-3-carboxamide
CID 71107257

Frequently Asked Questions

What is the IUPAC name of 1-(difluoromethyl)-5-methyl-N-propyl-N-(pyridin-3-ylmethyl)pyrrole-2-carboxamide?
The IUPAC name of 1-(difluoromethyl)-5-methyl-N-propyl-N-(pyridin-3-ylmethyl)pyrrole-2-carboxamide (CID 121498039) is 1-(difluoromethyl)-5-methyl-N-propyl-N-(pyridin-3-ylmethyl)pyrrole-2-carboxamide.
What is the SMILES notation for 1-(difluoromethyl)-5-methyl-N-propyl-N-(pyridin-3-ylmethyl)pyrrole-2-carboxamide?
The canonical SMILES for 1-(difluoromethyl)-5-methyl-N-propyl-N-(pyridin-3-ylmethyl)pyrrole-2-carboxamide is CCCN(Cc1cccnc1)C(=O)c1ccc(C)n1C(F)F.
What is the InChIKey of 1-(difluoromethyl)-5-methyl-N-propyl-N-(pyridin-3-ylmethyl)pyrrole-2-carboxamide?
The InChIKey is RHXDCJLKUIBHGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19F2N3O/c1-3-9-20(11-13-5-4-8-19-10-13)15(22)14-7-6-12(2)21(14)16(17)18/h4-8,10,16H,3,9,11H2,1-2H3.
What are the key properties of 1-(difluoromethyl)-5-methyl-N-propyl-N-(pyridin-3-ylmethyl)pyrrole-2-carboxamide?
1-(difluoromethyl)-5-methyl-N-propyl-N-(pyridin-3-ylmethyl)pyrrole-2-carboxamide has a molecular weight of 307.34 g/mol, XLogP of 3.64, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(difluoromethyl)-5-methyl-N-propyl-N-(pyridin-3-ylmethyl)pyrrole-2-carboxamide is sourced from PubChem (CID 121498039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).