N-[(S)-cyclopropyl-(6-methyl-2-pyridinyl)methyl]-1-(difluoromethyl)-5-methylpyrrole-2-carboxamide

C17H19F2N3O — CID 126423675

IUPACN-[(S)-cyclopropyl-(6-methyl-2-pyridinyl)methyl]-1-(difluoromethyl)-5-methylpyrrole-2-carboxamide
SMILESCc1cccc([C@@H](NC(=O)c2ccc(C)n2C(F)F)C2CC2)n1
InChIInChI=1S/C17H19F2N3O/c1-10-4-3-5-13(20-10)15(12-7-8-12)21-16(23)14-9-6-11(2)22(14)17(18)19/h3-6,9,12,15,17H,7-8H2,1-2H3,(H,21,23)/t15-/m0/s1
InChIKeyNPFCYXRZZSJTFZ-HNNXBMFYSA-N
MW319.36 g/mol
LogP3.78
Rot. Bonds5

About N-[(S)-cyclopropyl-(6-methyl-2-pyridinyl)methyl]-1-(difluoromethyl)-5-methylpyrrole-2-carboxamide

N-[(S)-cyclopropyl-(6-methyl-2-pyridinyl)methyl]-1-(difluoromethyl)-5-methylpyrrole-2-carboxamide (PubChem CID 126423675) has the molecular formula C17H19F2N3O and a molecular weight of 319.36 g/mol. Its IUPAC name is N-[(S)-cyclopropyl-(6-methyl-2-pyridinyl)methyl]-1-(difluoromethyl)-5-methylpyrrole-2-carboxamide.

Molecular Properties

Compound NameN-[(S)-cyclopropyl-(6-methyl-2-pyridinyl)methyl]-1-(difluoromethyl)-5-methylpyrrole-2-carboxamide
PubChem CID126423675
Molecular FormulaC17H19F2N3O
Molecular Weight319.36 g/mol
Exact Mass319.15
IUPAC NameN-[(S)-cyclopropyl-(6-methyl-2-pyridinyl)methyl]-1-(difluoromethyl)-5-methylpyrrole-2-carboxamide
SMILESCc1cccc([C@@H](NC(=O)c2ccc(C)n2C(F)F)C2CC2)n1
InChIInChI=1S/C17H19F2N3O/c1-10-4-3-5-13(20-10)15(12-7-8-12)21-16(23)14-9-6-11(2)22(14)17(18)19/h3-6,9,12,15,17H,7-8H2,1-2H3,(H,21,23)/t15-/m0/s1
InChIKeyNPFCYXRZZSJTFZ-HNNXBMFYSA-N
XLogP3.78
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.36
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[cyclopropyl-(6-methyl-2-pyridinyl)methyl]-3-methylimidazole-4-carboxamide
CID 118778490
N-[cyclopropyl-(6-methyl-2-pyridinyl)methyl]-4-propan-2-yloxybenzamide
CID 118766529
N-[cyclopropyl-(6-methyl-2-pyridinyl)methyl]-8-fluoroquinoline-2-carboxamide
CID 70738649
N-[(S)-cyclopropyl-(6-methyl-2-pyridinyl)methyl]-8-fluoroquinoline-2-carboxamide
CID 97127947
N-[cyclopropyl-(6-methyl-2-pyridinyl)methyl]-1-propan-2-ylpyrazole-3-carboxamide
CID 119062587
N-[(S)-cyclopropyl-(6-methyl-2-pyridinyl)methyl]-5-methoxy-1-methylindole-2-carboxamide
CID 99946822
N-[(R)-cyclopropyl-(6-methyl-2-pyridinyl)methyl]-2-methylsulfanylpyridine-3-carboxamide
CID 125164990
N-[cyclopropyl-(6-methyl-2-pyridinyl)methyl]-3-(pyrazol-1-ylmethyl)benzamide
CID 77080300
N-[cyclopropyl-(6-methyl-2-pyridinyl)methyl]-5-oxo-1,4-diazepane-1-carboxamide
CID 131907551
1-[(R)-cyclopropyl-(6-methyl-2-pyridinyl)methyl]-3-(2,3-dimethylphenyl)urea
CID 97454673
N-[cyclopropyl-(6-methyl-2-pyridinyl)methyl]-2-(2,2,3,3-tetrafluoropropoxy)acetamide
CID 118772090
5-chloro-N-[cyclopropyl-(6-methyl-2-pyridinyl)methyl]-4,6-dimethyl-2-oxo-1H-pyridine-3-carboxamide
CID 74231777

Frequently Asked Questions

What is the IUPAC name of N-[(S)-cyclopropyl-(6-methyl-2-pyridinyl)methyl]-1-(difluoromethyl)-5-methylpyrrole-2-carboxamide?
The IUPAC name of N-[(S)-cyclopropyl-(6-methyl-2-pyridinyl)methyl]-1-(difluoromethyl)-5-methylpyrrole-2-carboxamide (CID 126423675) is N-[(S)-cyclopropyl-(6-methyl-2-pyridinyl)methyl]-1-(difluoromethyl)-5-methylpyrrole-2-carboxamide.
What is the SMILES notation for N-[(S)-cyclopropyl-(6-methyl-2-pyridinyl)methyl]-1-(difluoromethyl)-5-methylpyrrole-2-carboxamide?
The canonical SMILES for N-[(S)-cyclopropyl-(6-methyl-2-pyridinyl)methyl]-1-(difluoromethyl)-5-methylpyrrole-2-carboxamide is Cc1cccc([C@@H](NC(=O)c2ccc(C)n2C(F)F)C2CC2)n1.
What is the InChIKey of N-[(S)-cyclopropyl-(6-methyl-2-pyridinyl)methyl]-1-(difluoromethyl)-5-methylpyrrole-2-carboxamide?
The InChIKey is NPFCYXRZZSJTFZ-HNNXBMFYSA-N. The full InChI is InChI=1S/C17H19F2N3O/c1-10-4-3-5-13(20-10)15(12-7-8-12)21-16(23)14-9-6-11(2)22(14)17(18)19/h3-6,9,12,15,17H,7-8H2,1-2H3,(H,21,23)/t15-/m0/s1.
What are the key properties of N-[(S)-cyclopropyl-(6-methyl-2-pyridinyl)methyl]-1-(difluoromethyl)-5-methylpyrrole-2-carboxamide?
N-[(S)-cyclopropyl-(6-methyl-2-pyridinyl)methyl]-1-(difluoromethyl)-5-methylpyrrole-2-carboxamide has a molecular weight of 319.36 g/mol, XLogP of 3.78, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(S)-cyclopropyl-(6-methyl-2-pyridinyl)methyl]-1-(difluoromethyl)-5-methylpyrrole-2-carboxamide is sourced from PubChem (CID 126423675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).