N-[(4-fluorophenyl)methyl]-6-[1-[2-(methanesulfonamido)acetyl]pyrrolidin-2-yl]-2-methylpyridine-3-carboxamide

C21H25FN4O4S — CID 110261232

IUPACN-[(4-fluorophenyl)methyl]-6-[1-[2-(methanesulfonamido)acetyl]pyrrolidin-2-yl]-2-methylpyridine-3-carboxamide
SMILESCc1nc(C2CCCN2C(=O)CNS(C)(=O)=O)ccc1C(=O)NCc1ccc(F)cc1
InChIInChI=1S/C21H25FN4O4S/c1-14-17(21(28)23-12-15-5-7-16(22)8-6-15)9-10-18(25-14)19-4-3-11-26(19)20(27)13-24-31(2,29)30/h5-10,19,24H,3-4,11-13H2,1-2H3,(H,23,28)
InChIKeyHNZYCLRJTOSVHR-UHFFFAOYSA-N
MW448.52 g/mol
LogP1.67
Rot. Bonds7

About N-[(4-fluorophenyl)methyl]-6-[1-[2-(methanesulfonamido)acetyl]pyrrolidin-2-yl]-2-methylpyridine-3-carboxamide

N-[(4-fluorophenyl)methyl]-6-[1-[2-(methanesulfonamido)acetyl]pyrrolidin-2-yl]-2-methylpyridine-3-carboxamide (PubChem CID 110261232) has the molecular formula C21H25FN4O4S and a molecular weight of 448.52 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-6-[1-[2-(methanesulfonamido)acetyl]pyrrolidin-2-yl]-2-methylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methyl]-6-[1-[2-(methanesulfonamido)acetyl]pyrrolidin-2-yl]-2-methylpyridine-3-carboxamide
PubChem CID110261232
Molecular FormulaC21H25FN4O4S
Molecular Weight448.52 g/mol
Exact Mass448.16
IUPAC NameN-[(4-fluorophenyl)methyl]-6-[1-[2-(methanesulfonamido)acetyl]pyrrolidin-2-yl]-2-methylpyridine-3-carboxamide
SMILESCc1nc(C2CCCN2C(=O)CNS(C)(=O)=O)ccc1C(=O)NCc1ccc(F)cc1
InChIInChI=1S/C21H25FN4O4S/c1-14-17(21(28)23-12-15-5-7-16(22)8-6-15)9-10-18(25-14)19-4-3-11-26(19)20(27)13-24-31(2,29)30/h5-10,19,24H,3-4,11-13H2,1-2H3,(H,23,28)
InChIKeyHNZYCLRJTOSVHR-UHFFFAOYSA-N
XLogP1.67
TPSA108.47 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.52
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(4-fluorophenyl)methyl]-6-[1-[(3-fluorophenyl)methyl]pyrrolidin-2-yl]-2-methylpyridine-3-carboxamide
CID 110261210
N-[(4-fluorophenyl)methyl]-2-methyl-6-[1-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-2-yl]pyridine-3-carboxamide
CID 110261221
N-[[6-[1-[2-(methanesulfonamido)acetyl]pyrrolidin-2-yl]-3-pyridinyl]methyl]acetamide
CID 110094898
2-[(2R)-1-(2-cyclopentylacetyl)piperidin-2-yl]-N-[(4-fluorophenyl)methyl]-4-methylpyrimidine-5-carboxamide
CID 92639602
N-[2-[(2R)-2-[5-[(dimethylamino)methyl]-2-pyridinyl]pyrrolidin-1-yl]-2-oxoethyl]methanesulfonamide
CID 124995253
N-benzyl-2-[(2R)-1-[2-(4-fluorophenoxy)acetyl]pyrrolidin-2-yl]-4-methylpyrimidine-5-carboxamide
CID 92637069
N-[(4-fluorophenyl)methyl]-2-[1-[(4-fluorophenyl)methyl]piperidin-2-yl]-4-methylpyrimidine-5-carboxamide
CID 110247725
N-[(4-fluorophenyl)methyl]-2-[(2S)-1-[(4-fluorophenyl)methyl]piperidin-2-yl]-4-methylpyrimidine-5-carboxamide
CID 92639751
6-[(2R)-1-[2-(4-methoxy-3-methylphenyl)acetyl]pyrrolidin-2-yl]-N,2-dimethylpyridine-3-carboxamide
CID 92625390
N-[(4-fluorophenyl)methyl]-4-methyl-2-[(2R)-1-(1-methylpyrazole-4-carbonyl)piperidin-2-yl]pyrimidine-5-carboxamide
CID 92639724
2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(4-fluorophenyl)methyl]pyrrolidine-1-carboxamide
CID 50808693
N-[(4-fluorophenyl)methyl]-4-methyl-2-[1-(pyridine-3-carbonyl)piperidin-2-yl]pyrimidine-5-carboxamide
CID 110249032

Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)methyl]-6-[1-[2-(methanesulfonamido)acetyl]pyrrolidin-2-yl]-2-methylpyridine-3-carboxamide?
The IUPAC name of N-[(4-fluorophenyl)methyl]-6-[1-[2-(methanesulfonamido)acetyl]pyrrolidin-2-yl]-2-methylpyridine-3-carboxamide (CID 110261232) is N-[(4-fluorophenyl)methyl]-6-[1-[2-(methanesulfonamido)acetyl]pyrrolidin-2-yl]-2-methylpyridine-3-carboxamide.
What is the SMILES notation for N-[(4-fluorophenyl)methyl]-6-[1-[2-(methanesulfonamido)acetyl]pyrrolidin-2-yl]-2-methylpyridine-3-carboxamide?
The canonical SMILES for N-[(4-fluorophenyl)methyl]-6-[1-[2-(methanesulfonamido)acetyl]pyrrolidin-2-yl]-2-methylpyridine-3-carboxamide is Cc1nc(C2CCCN2C(=O)CNS(C)(=O)=O)ccc1C(=O)NCc1ccc(F)cc1.
What is the InChIKey of N-[(4-fluorophenyl)methyl]-6-[1-[2-(methanesulfonamido)acetyl]pyrrolidin-2-yl]-2-methylpyridine-3-carboxamide?
The InChIKey is HNZYCLRJTOSVHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25FN4O4S/c1-14-17(21(28)23-12-15-5-7-16(22)8-6-15)9-10-18(25-14)19-4-3-11-26(19)20(27)13-24-31(2,29)30/h5-10,19,24H,3-4,11-13H2,1-2H3,(H,23,28).
What are the key properties of N-[(4-fluorophenyl)methyl]-6-[1-[2-(methanesulfonamido)acetyl]pyrrolidin-2-yl]-2-methylpyridine-3-carboxamide?
N-[(4-fluorophenyl)methyl]-6-[1-[2-(methanesulfonamido)acetyl]pyrrolidin-2-yl]-2-methylpyridine-3-carboxamide has a molecular weight of 448.52 g/mol, XLogP of 1.67, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)methyl]-6-[1-[2-(methanesulfonamido)acetyl]pyrrolidin-2-yl]-2-methylpyridine-3-carboxamide is sourced from PubChem (CID 110261232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).