4-[3-[(3R)-3-hydroxypyrrolidine-1-carbonyl]-1,7-naphthyridin-5-yl]-N-methylsulfonylbenzamide

C21H20N4O5S — CID 137490383

IUPAC4-[3-[(3R)-3-hydroxypyrrolidine-1-carbonyl]-1,7-naphthyridin-5-yl]-N-methylsulfonylbenzamide
SMILESCS(=O)(=O)NC(=O)c1ccc(-c2cncc3ncc(C(=O)N4CC[C@@H](O)C4)cc23)cc1
InChIInChI=1S/C21H20N4O5S/c1-31(29,30)24-20(27)14-4-2-13(3-5-14)18-10-22-11-19-17(18)8-15(9-23-19)21(28)25-7-6-16(26)12-25/h2-5,8-11,16,26H,6-7,12H2,1H3,(H,24,27)/t16-/m1/s1
InChIKeyIVHGUZPGAMJVKS-MRXNPFEDSA-N
MW440.48 g/mol
LogP1.19
Rot. Bonds4

About 4-[3-[(3R)-3-hydroxypyrrolidine-1-carbonyl]-1,7-naphthyridin-5-yl]-N-methylsulfonylbenzamide

4-[3-[(3R)-3-hydroxypyrrolidine-1-carbonyl]-1,7-naphthyridin-5-yl]-N-methylsulfonylbenzamide (PubChem CID 137490383) has the molecular formula C21H20N4O5S and a molecular weight of 440.48 g/mol. Its IUPAC name is 4-[3-[(3R)-3-hydroxypyrrolidine-1-carbonyl]-1,7-naphthyridin-5-yl]-N-methylsulfonylbenzamide.

Molecular Properties

Compound Name4-[3-[(3R)-3-hydroxypyrrolidine-1-carbonyl]-1,7-naphthyridin-5-yl]-N-methylsulfonylbenzamide
PubChem CID137490383
Molecular FormulaC21H20N4O5S
Molecular Weight440.48 g/mol
Exact Mass440.12
IUPAC Name4-[3-[(3R)-3-hydroxypyrrolidine-1-carbonyl]-1,7-naphthyridin-5-yl]-N-methylsulfonylbenzamide
SMILESCS(=O)(=O)NC(=O)c1ccc(-c2cncc3ncc(C(=O)N4CC[C@@H](O)C4)cc23)cc1
InChIInChI=1S/C21H20N4O5S/c1-31(29,30)24-20(27)14-4-2-13(3-5-14)18-10-22-11-19-17(18)8-15(9-23-19)21(28)25-7-6-16(26)12-25/h2-5,8-11,16,26H,6-7,12H2,1H3,(H,24,27)/t16-/m1/s1
InChIKeyIVHGUZPGAMJVKS-MRXNPFEDSA-N
XLogP1.19
TPSA129.56 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.48
LogP ≤ 51.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

(3-hydroxypyrrolidin-1-yl)-[5-[4-(1H-pyrazol-4-yl)phenyl]-1,7-naphthyridin-3-yl]methanone;methane
CID 142527606
(6-fluoro-3-pyridinyl)-[(3R)-3-hydroxypyrrolidin-1-yl]methanone
CID 103719238
(6-bromo-3-pyridinyl)-[(3S)-3-hydroxypyrrolidin-1-yl]methanone
CID 79041393
[6-(dimethylamino)-3-pyridinyl]-[(3R)-3-hydroxypyrrolidin-1-yl]methanone
CID 66261774
(3-hydroxypyrrolidin-1-yl)-pyridin-4-ylmethanone
CID 62917595
N-[4-(3-hydroxypyrrolidine-1-carbonyl)phenyl]acetamide
CID 62918779
(3-hydroxypyrrolidin-1-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanone
CID 62917121
(4-tert-butylphenyl)-[(3R)-3-hydroxypyrrolidin-1-yl]methanone
CID 58949513
1-[2-hydroxy-5-[4-[(3R)-3-hydroxypyrrolidine-1-carbonyl]phenyl]phenyl]ethanone
CID 118770031
(4-chloro-3-methylsulfonylphenyl)-[(3S)-3-hydroxypyrrolidin-1-yl]methanone
CID 79029528
(3-hydroxypyrrolidin-1-yl)-pyrimidin-5-ylmethanone
CID 102922153
[4-(dimethylamino)phenyl]-[(3R)-3-hydroxypyrrolidin-1-yl]methanone
CID 66261919

Frequently Asked Questions

What is the IUPAC name of 4-[3-[(3R)-3-hydroxypyrrolidine-1-carbonyl]-1,7-naphthyridin-5-yl]-N-methylsulfonylbenzamide?
The IUPAC name of 4-[3-[(3R)-3-hydroxypyrrolidine-1-carbonyl]-1,7-naphthyridin-5-yl]-N-methylsulfonylbenzamide (CID 137490383) is 4-[3-[(3R)-3-hydroxypyrrolidine-1-carbonyl]-1,7-naphthyridin-5-yl]-N-methylsulfonylbenzamide.
What is the SMILES notation for 4-[3-[(3R)-3-hydroxypyrrolidine-1-carbonyl]-1,7-naphthyridin-5-yl]-N-methylsulfonylbenzamide?
The canonical SMILES for 4-[3-[(3R)-3-hydroxypyrrolidine-1-carbonyl]-1,7-naphthyridin-5-yl]-N-methylsulfonylbenzamide is CS(=O)(=O)NC(=O)c1ccc(-c2cncc3ncc(C(=O)N4CC[C@@H](O)C4)cc23)cc1.
What is the InChIKey of 4-[3-[(3R)-3-hydroxypyrrolidine-1-carbonyl]-1,7-naphthyridin-5-yl]-N-methylsulfonylbenzamide?
The InChIKey is IVHGUZPGAMJVKS-MRXNPFEDSA-N. The full InChI is InChI=1S/C21H20N4O5S/c1-31(29,30)24-20(27)14-4-2-13(3-5-14)18-10-22-11-19-17(18)8-15(9-23-19)21(28)25-7-6-16(26)12-25/h2-5,8-11,16,26H,6-7,12H2,1H3,(H,24,27)/t16-/m1/s1.
What are the key properties of 4-[3-[(3R)-3-hydroxypyrrolidine-1-carbonyl]-1,7-naphthyridin-5-yl]-N-methylsulfonylbenzamide?
4-[3-[(3R)-3-hydroxypyrrolidine-1-carbonyl]-1,7-naphthyridin-5-yl]-N-methylsulfonylbenzamide has a molecular weight of 440.48 g/mol, XLogP of 1.19, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[(3R)-3-hydroxypyrrolidine-1-carbonyl]-1,7-naphthyridin-5-yl]-N-methylsulfonylbenzamide is sourced from PubChem (CID 137490383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).