6-[5-[(ethylsulfonylamino)methyl]-3-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide

C17H21N5O3S — CID 86305807

IUPAC6-[5-[(ethylsulfonylamino)methyl]-3-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide
SMILESCCS(=O)(=O)NCc1cncc(-c2cnc3c(c2)CCCN3C(N)=O)c1
InChIInChI=1S/C17H21N5O3S/c1-2-26(24,25)21-9-12-6-14(10-19-8-12)15-7-13-4-3-5-22(17(18)23)16(13)20-11-15/h6-8,10-11,21H,2-5,9H2,1H3,(H2,18,23)
InChIKeyIBQGMGNYUQJBBT-UHFFFAOYSA-N
MW375.45 g/mol
LogP1.41
Rot. Bonds5

About 6-[5-[(ethylsulfonylamino)methyl]-3-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide

6-[5-[(ethylsulfonylamino)methyl]-3-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide (PubChem CID 86305807) has the molecular formula C17H21N5O3S and a molecular weight of 375.45 g/mol. Its IUPAC name is 6-[5-[(ethylsulfonylamino)methyl]-3-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide.

Molecular Properties

Compound Name6-[5-[(ethylsulfonylamino)methyl]-3-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide
PubChem CID86305807
Molecular FormulaC17H21N5O3S
Molecular Weight375.45 g/mol
Exact Mass375.14
IUPAC Name6-[5-[(ethylsulfonylamino)methyl]-3-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide
SMILESCCS(=O)(=O)NCc1cncc(-c2cnc3c(c2)CCCN3C(N)=O)c1
InChIInChI=1S/C17H21N5O3S/c1-2-26(24,25)21-9-12-6-14(10-19-8-12)15-7-13-4-3-5-22(17(18)23)16(13)20-11-15/h6-8,10-11,21H,2-5,9H2,1H3,(H2,18,23)
InChIKeyIBQGMGNYUQJBBT-UHFFFAOYSA-N
XLogP1.41
TPSA118.28 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.45
LogP ≤ 51.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-[5-[(ethylsulfonylamino)methyl]-3-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide?
The IUPAC name of 6-[5-[(ethylsulfonylamino)methyl]-3-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide (CID 86305807) is 6-[5-[(ethylsulfonylamino)methyl]-3-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide.
What is the SMILES notation for 6-[5-[(ethylsulfonylamino)methyl]-3-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide?
The canonical SMILES for 6-[5-[(ethylsulfonylamino)methyl]-3-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide is CCS(=O)(=O)NCc1cncc(-c2cnc3c(c2)CCCN3C(N)=O)c1.
What is the InChIKey of 6-[5-[(ethylsulfonylamino)methyl]-3-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide?
The InChIKey is IBQGMGNYUQJBBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N5O3S/c1-2-26(24,25)21-9-12-6-14(10-19-8-12)15-7-13-4-3-5-22(17(18)23)16(13)20-11-15/h6-8,10-11,21H,2-5,9H2,1H3,(H2,18,23).
What are the key properties of 6-[5-[(ethylsulfonylamino)methyl]-3-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide?
6-[5-[(ethylsulfonylamino)methyl]-3-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide has a molecular weight of 375.45 g/mol, XLogP of 1.41, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[5-[(ethylsulfonylamino)methyl]-3-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide is sourced from PubChem (CID 86305807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).