7-methylsulfonyl-N-pyrrolidin-3-yl-6,8-dihydro-5H-2,7-naphthyridine-4-carboxamide

C14H20N4O3S — CID 112530801

IUPAC7-methylsulfonyl-N-pyrrolidin-3-yl-6,8-dihydro-5H-2,7-naphthyridine-4-carboxamide
SMILESCS(=O)(=O)N1CCc2c(cncc2C(=O)NC2CCNC2)C1
InChIInChI=1S/C14H20N4O3S/c1-22(20,21)18-5-3-12-10(9-18)6-16-8-13(12)14(19)17-11-2-4-15-7-11/h6,8,11,15H,2-5,7,9H2,1H3,(H,17,19)
InChIKeyDGJYOGYXWMPIQJ-UHFFFAOYSA-N
MW324.41 g/mol
LogP-0.51
Rot. Bonds3

About 7-methylsulfonyl-N-pyrrolidin-3-yl-6,8-dihydro-5H-2,7-naphthyridine-4-carboxamide

7-methylsulfonyl-N-pyrrolidin-3-yl-6,8-dihydro-5H-2,7-naphthyridine-4-carboxamide (PubChem CID 112530801) has the molecular formula C14H20N4O3S and a molecular weight of 324.41 g/mol. Its IUPAC name is 7-methylsulfonyl-N-pyrrolidin-3-yl-6,8-dihydro-5H-2,7-naphthyridine-4-carboxamide.

Molecular Properties

Compound Name7-methylsulfonyl-N-pyrrolidin-3-yl-6,8-dihydro-5H-2,7-naphthyridine-4-carboxamide
PubChem CID112530801
Molecular FormulaC14H20N4O3S
Molecular Weight324.41 g/mol
Exact Mass324.13
IUPAC Name7-methylsulfonyl-N-pyrrolidin-3-yl-6,8-dihydro-5H-2,7-naphthyridine-4-carboxamide
SMILESCS(=O)(=O)N1CCc2c(cncc2C(=O)NC2CCNC2)C1
InChIInChI=1S/C14H20N4O3S/c1-22(20,21)18-5-3-12-10(9-18)6-16-8-13(12)14(19)17-11-2-4-15-7-11/h6,8,11,15H,2-5,7,9H2,1H3,(H,17,19)
InChIKeyDGJYOGYXWMPIQJ-UHFFFAOYSA-N
XLogP-0.51
TPSA91.40 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.41
LogP ≤ 5-0.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-methylsulfonyl-N-pyrrolidin-3-yl-6,8-dihydro-5H-2,7-naphthyridine-4-carboxamide?
The IUPAC name of 7-methylsulfonyl-N-pyrrolidin-3-yl-6,8-dihydro-5H-2,7-naphthyridine-4-carboxamide (CID 112530801) is 7-methylsulfonyl-N-pyrrolidin-3-yl-6,8-dihydro-5H-2,7-naphthyridine-4-carboxamide.
What is the SMILES notation for 7-methylsulfonyl-N-pyrrolidin-3-yl-6,8-dihydro-5H-2,7-naphthyridine-4-carboxamide?
The canonical SMILES for 7-methylsulfonyl-N-pyrrolidin-3-yl-6,8-dihydro-5H-2,7-naphthyridine-4-carboxamide is CS(=O)(=O)N1CCc2c(cncc2C(=O)NC2CCNC2)C1.
What is the InChIKey of 7-methylsulfonyl-N-pyrrolidin-3-yl-6,8-dihydro-5H-2,7-naphthyridine-4-carboxamide?
The InChIKey is DGJYOGYXWMPIQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O3S/c1-22(20,21)18-5-3-12-10(9-18)6-16-8-13(12)14(19)17-11-2-4-15-7-11/h6,8,11,15H,2-5,7,9H2,1H3,(H,17,19).
What are the key properties of 7-methylsulfonyl-N-pyrrolidin-3-yl-6,8-dihydro-5H-2,7-naphthyridine-4-carboxamide?
7-methylsulfonyl-N-pyrrolidin-3-yl-6,8-dihydro-5H-2,7-naphthyridine-4-carboxamide has a molecular weight of 324.41 g/mol, XLogP of -0.51, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methylsulfonyl-N-pyrrolidin-3-yl-6,8-dihydro-5H-2,7-naphthyridine-4-carboxamide is sourced from PubChem (CID 112530801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).