2,4-difluoro-N-[(3R)-1-[(6-methoxy-3-pyridinyl)methyl]pyrrolidin-3-yl]benzamide

C18H19F2N3O2 — CID 95107187

IUPAC2,4-difluoro-N-[(3R)-1-[(6-methoxy-3-pyridinyl)methyl]pyrrolidin-3-yl]benzamide
SMILESCOc1ccc(CN2CC[C@@H](NC(=O)c3ccc(F)cc3F)C2)cn1
InChIInChI=1S/C18H19F2N3O2/c1-25-17-5-2-12(9-21-17)10-23-7-6-14(11-23)22-18(24)15-4-3-13(19)8-16(15)20/h2-5,8-9,14H,6-7,10-11H2,1H3,(H,22,24)/t14-/m1/s1
InChIKeyQBABXINITWYBPS-CQSZACIVSA-N
MW347.37 g/mol
LogP2.37
Rot. Bonds5

About 2,4-difluoro-N-[(3R)-1-[(6-methoxy-3-pyridinyl)methyl]pyrrolidin-3-yl]benzamide

2,4-difluoro-N-[(3R)-1-[(6-methoxy-3-pyridinyl)methyl]pyrrolidin-3-yl]benzamide (PubChem CID 95107187) has the molecular formula C18H19F2N3O2 and a molecular weight of 347.37 g/mol. Its IUPAC name is 2,4-difluoro-N-[(3R)-1-[(6-methoxy-3-pyridinyl)methyl]pyrrolidin-3-yl]benzamide.

Molecular Properties

Compound Name2,4-difluoro-N-[(3R)-1-[(6-methoxy-3-pyridinyl)methyl]pyrrolidin-3-yl]benzamide
PubChem CID95107187
Molecular FormulaC18H19F2N3O2
Molecular Weight347.37 g/mol
Exact Mass347.14
IUPAC Name2,4-difluoro-N-[(3R)-1-[(6-methoxy-3-pyridinyl)methyl]pyrrolidin-3-yl]benzamide
SMILESCOc1ccc(CN2CC[C@@H](NC(=O)c3ccc(F)cc3F)C2)cn1
InChIInChI=1S/C18H19F2N3O2/c1-25-17-5-2-12(9-21-17)10-23-7-6-14(11-23)22-18(24)15-4-3-13(19)8-16(15)20/h2-5,8-9,14H,6-7,10-11H2,1H3,(H,22,24)/t14-/m1/s1
InChIKeyQBABXINITWYBPS-CQSZACIVSA-N
XLogP2.37
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.37
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-cyclopentyl-3-[(3R)-1-[(6-methoxy-3-pyridinyl)methyl]pyrrolidin-3-yl]urea
CID 95107233
4-cyano-N-[(3R)-1-[(6-methoxy-3-pyridinyl)methyl]pyrrolidin-3-yl]benzamide
CID 95107205
2,4-difluoro-N-[1-[[4-(methylcarbamoyl)phenyl]methyl]piperidin-4-yl]benzamide
CID 166296875
N-(1-ethylpiperidin-4-yl)-2,4-difluorobenzamide
CID 36811979
1-[(6-methoxy-3-pyridinyl)methyl]-N-methylpiperidin-4-amine
CID 62994180
N-[(3R)-1-[(6-ethoxy-3-pyridinyl)methyl]pyrrolidin-3-yl]furan-3-carboxamide
CID 95107251
1-(2,4-difluorobenzoyl)-N-[(6-methoxy-3-pyridinyl)methyl]piperidine-4-carboxamide
CID 51317056
5-[[(3R)-3-(dimethylsulfamoylamino)pyrrolidin-1-yl]methyl]-2-methoxypyridine
CID 95107248
4-[(3-acetamidopyrrolidin-1-yl)methyl]-2-fluorobenzoic acid
CID 106699396
5-chloro-4-(cyclopropanecarbonylamino)-N-[(3S)-1-[(4-fluorophenyl)methyl]pyrrolidin-3-yl]-2-methoxybenzamide
CID 139674673
4-cyano-N-[1-[(6-ethoxy-3-pyridinyl)methyl]pyrrolidin-3-yl]benzamide
CID 53185237
2-(2-aminoethoxy)-N-(1-benzylpyrrolidin-3-yl)-4-methoxybenzamide
CID 118784879

Frequently Asked Questions

What is the IUPAC name of 2,4-difluoro-N-[(3R)-1-[(6-methoxy-3-pyridinyl)methyl]pyrrolidin-3-yl]benzamide?
The IUPAC name of 2,4-difluoro-N-[(3R)-1-[(6-methoxy-3-pyridinyl)methyl]pyrrolidin-3-yl]benzamide (CID 95107187) is 2,4-difluoro-N-[(3R)-1-[(6-methoxy-3-pyridinyl)methyl]pyrrolidin-3-yl]benzamide.
What is the SMILES notation for 2,4-difluoro-N-[(3R)-1-[(6-methoxy-3-pyridinyl)methyl]pyrrolidin-3-yl]benzamide?
The canonical SMILES for 2,4-difluoro-N-[(3R)-1-[(6-methoxy-3-pyridinyl)methyl]pyrrolidin-3-yl]benzamide is COc1ccc(CN2CC[C@@H](NC(=O)c3ccc(F)cc3F)C2)cn1.
What is the InChIKey of 2,4-difluoro-N-[(3R)-1-[(6-methoxy-3-pyridinyl)methyl]pyrrolidin-3-yl]benzamide?
The InChIKey is QBABXINITWYBPS-CQSZACIVSA-N. The full InChI is InChI=1S/C18H19F2N3O2/c1-25-17-5-2-12(9-21-17)10-23-7-6-14(11-23)22-18(24)15-4-3-13(19)8-16(15)20/h2-5,8-9,14H,6-7,10-11H2,1H3,(H,22,24)/t14-/m1/s1.
What are the key properties of 2,4-difluoro-N-[(3R)-1-[(6-methoxy-3-pyridinyl)methyl]pyrrolidin-3-yl]benzamide?
2,4-difluoro-N-[(3R)-1-[(6-methoxy-3-pyridinyl)methyl]pyrrolidin-3-yl]benzamide has a molecular weight of 347.37 g/mol, XLogP of 2.37, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-difluoro-N-[(3R)-1-[(6-methoxy-3-pyridinyl)methyl]pyrrolidin-3-yl]benzamide is sourced from PubChem (CID 95107187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).