N-(5-fluoro-6-methyl-2-pyridinyl)-2-methoxy-5-[[(3S)-pyrrolidin-3-yl]methylsulfonyl]benzamide

C19H22FN3O4S — CID 158573906

IUPACN-(5-fluoro-6-methyl-2-pyridinyl)-2-methoxy-5-[[(3S)-pyrrolidin-3-yl]methylsulfonyl]benzamide
SMILESCOc1ccc(S(=O)(=O)C[C@H]2CCNC2)cc1C(=O)Nc1ccc(F)c(C)n1
InChIInChI=1S/C19H22FN3O4S/c1-12-16(20)4-6-18(22-12)23-19(24)15-9-14(3-5-17(15)27-2)28(25,26)11-13-7-8-21-10-13/h3-6,9,13,21H,7-8,10-11H2,1-2H3,(H,22,23,24)/t13-/m0/s1
InChIKeyYMUYUNSPGDXODE-ZDUSSCGKSA-N
MW407.47 g/mol
LogP2.17
Rot. Bonds6

About N-(5-fluoro-6-methyl-2-pyridinyl)-2-methoxy-5-[[(3S)-pyrrolidin-3-yl]methylsulfonyl]benzamide

N-(5-fluoro-6-methyl-2-pyridinyl)-2-methoxy-5-[[(3S)-pyrrolidin-3-yl]methylsulfonyl]benzamide (PubChem CID 158573906) has the molecular formula C19H22FN3O4S and a molecular weight of 407.47 g/mol. Its IUPAC name is N-(5-fluoro-6-methyl-2-pyridinyl)-2-methoxy-5-[[(3S)-pyrrolidin-3-yl]methylsulfonyl]benzamide.

Molecular Properties

Compound NameN-(5-fluoro-6-methyl-2-pyridinyl)-2-methoxy-5-[[(3S)-pyrrolidin-3-yl]methylsulfonyl]benzamide
PubChem CID158573906
Molecular FormulaC19H22FN3O4S
Molecular Weight407.47 g/mol
Exact Mass407.13
IUPAC NameN-(5-fluoro-6-methyl-2-pyridinyl)-2-methoxy-5-[[(3S)-pyrrolidin-3-yl]methylsulfonyl]benzamide
SMILESCOc1ccc(S(=O)(=O)C[C@H]2CCNC2)cc1C(=O)Nc1ccc(F)c(C)n1
InChIInChI=1S/C19H22FN3O4S/c1-12-16(20)4-6-18(22-12)23-19(24)15-9-14(3-5-17(15)27-2)28(25,26)11-13-7-8-21-10-13/h3-6,9,13,21H,7-8,10-11H2,1-2H3,(H,22,23,24)/t13-/m0/s1
InChIKeyYMUYUNSPGDXODE-ZDUSSCGKSA-N
XLogP2.17
TPSA97.39 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.47
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(5-fluoro-6-methyl-2-pyridinyl)-2-methoxy-5-[[(3S)-pyrrolidin-3-yl]methylsulfonyl]benzamide?
The IUPAC name of N-(5-fluoro-6-methyl-2-pyridinyl)-2-methoxy-5-[[(3S)-pyrrolidin-3-yl]methylsulfonyl]benzamide (CID 158573906) is N-(5-fluoro-6-methyl-2-pyridinyl)-2-methoxy-5-[[(3S)-pyrrolidin-3-yl]methylsulfonyl]benzamide.
What is the SMILES notation for N-(5-fluoro-6-methyl-2-pyridinyl)-2-methoxy-5-[[(3S)-pyrrolidin-3-yl]methylsulfonyl]benzamide?
The canonical SMILES for N-(5-fluoro-6-methyl-2-pyridinyl)-2-methoxy-5-[[(3S)-pyrrolidin-3-yl]methylsulfonyl]benzamide is COc1ccc(S(=O)(=O)C[C@H]2CCNC2)cc1C(=O)Nc1ccc(F)c(C)n1.
What is the InChIKey of N-(5-fluoro-6-methyl-2-pyridinyl)-2-methoxy-5-[[(3S)-pyrrolidin-3-yl]methylsulfonyl]benzamide?
The InChIKey is YMUYUNSPGDXODE-ZDUSSCGKSA-N. The full InChI is InChI=1S/C19H22FN3O4S/c1-12-16(20)4-6-18(22-12)23-19(24)15-9-14(3-5-17(15)27-2)28(25,26)11-13-7-8-21-10-13/h3-6,9,13,21H,7-8,10-11H2,1-2H3,(H,22,23,24)/t13-/m0/s1.
What are the key properties of N-(5-fluoro-6-methyl-2-pyridinyl)-2-methoxy-5-[[(3S)-pyrrolidin-3-yl]methylsulfonyl]benzamide?
N-(5-fluoro-6-methyl-2-pyridinyl)-2-methoxy-5-[[(3S)-pyrrolidin-3-yl]methylsulfonyl]benzamide has a molecular weight of 407.47 g/mol, XLogP of 2.17, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-fluoro-6-methyl-2-pyridinyl)-2-methoxy-5-[[(3S)-pyrrolidin-3-yl]methylsulfonyl]benzamide is sourced from PubChem (CID 158573906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).