2-amino-N-benzyl-6-pyrrolidin-1-ylsulfonyl-7,8-dihydro-5H-1,6-naphthyridine-3-carboxamide

C20H25N5O3S — CID 110085368

IUPAC2-amino-N-benzyl-6-pyrrolidin-1-ylsulfonyl-7,8-dihydro-5H-1,6-naphthyridine-3-carboxamide
SMILESNc1nc2c(cc1C(=O)NCc1ccccc1)CN(S(=O)(=O)N1CCCC1)CC2
InChIInChI=1S/C20H25N5O3S/c21-19-17(20(26)22-13-15-6-2-1-3-7-15)12-16-14-25(11-8-18(16)23-19)29(27,28)24-9-4-5-10-24/h1-3,6-7,12H,4-5,8-11,13-14H2,(H2,21,23)(H,22,26)
InChIKeyVJAZDRBLYLSBBR-UHFFFAOYSA-N
MW415.52 g/mol
LogP1.29
Rot. Bonds5

About 2-amino-N-benzyl-6-pyrrolidin-1-ylsulfonyl-7,8-dihydro-5H-1,6-naphthyridine-3-carboxamide

2-amino-N-benzyl-6-pyrrolidin-1-ylsulfonyl-7,8-dihydro-5H-1,6-naphthyridine-3-carboxamide (PubChem CID 110085368) has the molecular formula C20H25N5O3S and a molecular weight of 415.52 g/mol. Its IUPAC name is 2-amino-N-benzyl-6-pyrrolidin-1-ylsulfonyl-7,8-dihydro-5H-1,6-naphthyridine-3-carboxamide.

Molecular Properties

Compound Name2-amino-N-benzyl-6-pyrrolidin-1-ylsulfonyl-7,8-dihydro-5H-1,6-naphthyridine-3-carboxamide
PubChem CID110085368
Molecular FormulaC20H25N5O3S
Molecular Weight415.52 g/mol
Exact Mass415.17
IUPAC Name2-amino-N-benzyl-6-pyrrolidin-1-ylsulfonyl-7,8-dihydro-5H-1,6-naphthyridine-3-carboxamide
SMILESNc1nc2c(cc1C(=O)NCc1ccccc1)CN(S(=O)(=O)N1CCCC1)CC2
InChIInChI=1S/C20H25N5O3S/c21-19-17(20(26)22-13-15-6-2-1-3-7-15)12-16-14-25(11-8-18(16)23-19)29(27,28)24-9-4-5-10-24/h1-3,6-7,12H,4-5,8-11,13-14H2,(H2,21,23)(H,22,26)
InChIKeyVJAZDRBLYLSBBR-UHFFFAOYSA-N
XLogP1.29
TPSA108.63 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.52
LogP ≤ 51.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-amino-N-benzyl-6-pyrrolidin-1-ylsulfonyl-7,8-dihydro-5H-1,6-naphthyridine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-benzyl-6-pyrrolidin-1-ylsulfonyl-7,8-dihydro-5H-1,6-naphthyridine-3-carboxamide?
The IUPAC name of 2-amino-N-benzyl-6-pyrrolidin-1-ylsulfonyl-7,8-dihydro-5H-1,6-naphthyridine-3-carboxamide (CID 110085368) is 2-amino-N-benzyl-6-pyrrolidin-1-ylsulfonyl-7,8-dihydro-5H-1,6-naphthyridine-3-carboxamide.
What is the SMILES notation for 2-amino-N-benzyl-6-pyrrolidin-1-ylsulfonyl-7,8-dihydro-5H-1,6-naphthyridine-3-carboxamide?
The canonical SMILES for 2-amino-N-benzyl-6-pyrrolidin-1-ylsulfonyl-7,8-dihydro-5H-1,6-naphthyridine-3-carboxamide is Nc1nc2c(cc1C(=O)NCc1ccccc1)CN(S(=O)(=O)N1CCCC1)CC2.
What is the InChIKey of 2-amino-N-benzyl-6-pyrrolidin-1-ylsulfonyl-7,8-dihydro-5H-1,6-naphthyridine-3-carboxamide?
The InChIKey is VJAZDRBLYLSBBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N5O3S/c21-19-17(20(26)22-13-15-6-2-1-3-7-15)12-16-14-25(11-8-18(16)23-19)29(27,28)24-9-4-5-10-24/h1-3,6-7,12H,4-5,8-11,13-14H2,(H2,21,23)(H,22,26).
What are the key properties of 2-amino-N-benzyl-6-pyrrolidin-1-ylsulfonyl-7,8-dihydro-5H-1,6-naphthyridine-3-carboxamide?
2-amino-N-benzyl-6-pyrrolidin-1-ylsulfonyl-7,8-dihydro-5H-1,6-naphthyridine-3-carboxamide has a molecular weight of 415.52 g/mol, XLogP of 1.29, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-benzyl-6-pyrrolidin-1-ylsulfonyl-7,8-dihydro-5H-1,6-naphthyridine-3-carboxamide is sourced from PubChem (CID 110085368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).