1-(difluoromethyl)-5-methyl-N-[(1R)-2-methyl-1-pyridin-3-ylpropyl]pyrrole-2-carboxamide

C16H19F2N3O — CID 125441697

IUPAC1-(difluoromethyl)-5-methyl-N-[(1R)-2-methyl-1-pyridin-3-ylpropyl]pyrrole-2-carboxamide
SMILESCc1ccc(C(=O)N[C@@H](c2cccnc2)C(C)C)n1C(F)F
InChIInChI=1S/C16H19F2N3O/c1-10(2)14(12-5-4-8-19-9-12)20-15(22)13-7-6-11(3)21(13)16(17)18/h4-10,14,16H,1-3H3,(H,20,22)/t14-/m1/s1
InChIKeyQTGOWUJIUHVNIV-CQSZACIVSA-N
MW307.34 g/mol
LogP3.71
Rot. Bonds5

About 1-(difluoromethyl)-5-methyl-N-[(1R)-2-methyl-1-pyridin-3-ylpropyl]pyrrole-2-carboxamide

1-(difluoromethyl)-5-methyl-N-[(1R)-2-methyl-1-pyridin-3-ylpropyl]pyrrole-2-carboxamide (PubChem CID 125441697) has the molecular formula C16H19F2N3O and a molecular weight of 307.34 g/mol. Its IUPAC name is 1-(difluoromethyl)-5-methyl-N-[(1R)-2-methyl-1-pyridin-3-ylpropyl]pyrrole-2-carboxamide.

Molecular Properties

Compound Name1-(difluoromethyl)-5-methyl-N-[(1R)-2-methyl-1-pyridin-3-ylpropyl]pyrrole-2-carboxamide
PubChem CID125441697
Molecular FormulaC16H19F2N3O
Molecular Weight307.34 g/mol
Exact Mass307.15
IUPAC Name1-(difluoromethyl)-5-methyl-N-[(1R)-2-methyl-1-pyridin-3-ylpropyl]pyrrole-2-carboxamide
SMILESCc1ccc(C(=O)N[C@@H](c2cccnc2)C(C)C)n1C(F)F
InChIInChI=1S/C16H19F2N3O/c1-10(2)14(12-5-4-8-19-9-12)20-15(22)13-7-6-11(3)21(13)16(17)18/h4-10,14,16H,1-3H3,(H,20,22)/t14-/m1/s1
InChIKeyQTGOWUJIUHVNIV-CQSZACIVSA-N
XLogP3.71
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.34
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N,2-dimethyl-1-pyridin-3-ylpropan-1-amine
CID 50989033
N-(2-methyl-1-phenylpropyl)pyrazine-2-carboxamide
CID 16564375
N-[(1S)-2-methyl-1-pyridin-3-ylpropyl]azocane-1-carboxamide
CID 125442514
4,4,4-trifluoro-N-(2-methyl-1-pyridin-3-ylpropyl)butanamide
CID 118783705
(3S)-4-methyl-3-pyridin-3-ylpentanoic acid
CID 95426489
3-(azocan-1-yl)-N-[(1R)-2-methyl-1-pyridin-3-ylpropyl]propanamide
CID 125158462
3-(azocan-1-yl)-N-[(1S)-2-methyl-1-pyridin-3-ylpropyl]propanamide
CID 125158460
N-(1-pyridin-3-ylethyl)pyridine-4-carboxamide
CID 51073131
4-fluoro-N-(1-pyridin-3-ylethyl)benzamide
CID 18162974
1,6-dimethyl-2-oxo-N-[(1R)-1-pyridin-3-ylethyl]pyridine-3-carboxamide
CID 125437332
1-[(1-methylimidazol-2-yl)methyl]-3-[(1S)-2-methyl-1-pyridin-3-ylpropyl]-1-propylurea
CID 125441423
1-[(1-methylimidazol-2-yl)methyl]-3-(2-methyl-1-pyridin-3-ylpropyl)-1-propylurea
CID 122563927

Frequently Asked Questions

What is the IUPAC name of 1-(difluoromethyl)-5-methyl-N-[(1R)-2-methyl-1-pyridin-3-ylpropyl]pyrrole-2-carboxamide?
The IUPAC name of 1-(difluoromethyl)-5-methyl-N-[(1R)-2-methyl-1-pyridin-3-ylpropyl]pyrrole-2-carboxamide (CID 125441697) is 1-(difluoromethyl)-5-methyl-N-[(1R)-2-methyl-1-pyridin-3-ylpropyl]pyrrole-2-carboxamide.
What is the SMILES notation for 1-(difluoromethyl)-5-methyl-N-[(1R)-2-methyl-1-pyridin-3-ylpropyl]pyrrole-2-carboxamide?
The canonical SMILES for 1-(difluoromethyl)-5-methyl-N-[(1R)-2-methyl-1-pyridin-3-ylpropyl]pyrrole-2-carboxamide is Cc1ccc(C(=O)N[C@@H](c2cccnc2)C(C)C)n1C(F)F.
What is the InChIKey of 1-(difluoromethyl)-5-methyl-N-[(1R)-2-methyl-1-pyridin-3-ylpropyl]pyrrole-2-carboxamide?
The InChIKey is QTGOWUJIUHVNIV-CQSZACIVSA-N. The full InChI is InChI=1S/C16H19F2N3O/c1-10(2)14(12-5-4-8-19-9-12)20-15(22)13-7-6-11(3)21(13)16(17)18/h4-10,14,16H,1-3H3,(H,20,22)/t14-/m1/s1.
What are the key properties of 1-(difluoromethyl)-5-methyl-N-[(1R)-2-methyl-1-pyridin-3-ylpropyl]pyrrole-2-carboxamide?
1-(difluoromethyl)-5-methyl-N-[(1R)-2-methyl-1-pyridin-3-ylpropyl]pyrrole-2-carboxamide has a molecular weight of 307.34 g/mol, XLogP of 3.71, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(difluoromethyl)-5-methyl-N-[(1R)-2-methyl-1-pyridin-3-ylpropyl]pyrrole-2-carboxamide is sourced from PubChem (CID 125441697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).