1-cyano-N-[1-(7H-pyrrolo[2,3-h][2,6]naphthyridin-1-yl)piperidin-3-yl]methanesulfonamide

C17H18N6O2S — CID 123551195

IUPAC1-cyano-N-[1-(7H-pyrrolo[2,3-h][2,6]naphthyridin-1-yl)piperidin-3-yl]methanesulfonamide
SMILESN#CCS(=O)(=O)NC1CCCN(c2nccc3cnc4[nH]ccc4c23)C1
InChIInChI=1S/C17H18N6O2S/c18-5-9-26(24,25)22-13-2-1-8-23(11-13)17-15-12(3-6-20-17)10-21-16-14(15)4-7-19-16/h3-4,6-7,10,13,22H,1-2,8-9,11H2,(H,19,21)
InChIKeyCQDNZUAOPATCJB-UHFFFAOYSA-N
MW370.44 g/mol
LogP1.52
Rot. Bonds4

About 1-cyano-N-[1-(7H-pyrrolo[2,3-h][2,6]naphthyridin-1-yl)piperidin-3-yl]methanesulfonamide

1-cyano-N-[1-(7H-pyrrolo[2,3-h][2,6]naphthyridin-1-yl)piperidin-3-yl]methanesulfonamide (PubChem CID 123551195) has the molecular formula C17H18N6O2S and a molecular weight of 370.44 g/mol. Its IUPAC name is 1-cyano-N-[1-(7H-pyrrolo[2,3-h][2,6]naphthyridin-1-yl)piperidin-3-yl]methanesulfonamide.

Molecular Properties

Compound Name1-cyano-N-[1-(7H-pyrrolo[2,3-h][2,6]naphthyridin-1-yl)piperidin-3-yl]methanesulfonamide
PubChem CID123551195
Molecular FormulaC17H18N6O2S
Molecular Weight370.44 g/mol
Exact Mass370.12
IUPAC Name1-cyano-N-[1-(7H-pyrrolo[2,3-h][2,6]naphthyridin-1-yl)piperidin-3-yl]methanesulfonamide
SMILESN#CCS(=O)(=O)NC1CCCN(c2nccc3cnc4[nH]ccc4c23)C1
InChIInChI=1S/C17H18N6O2S/c18-5-9-26(24,25)22-13-2-1-8-23(11-13)17-15-12(3-6-20-17)10-21-16-14(15)4-7-19-16/h3-4,6-7,10,13,22H,1-2,8-9,11H2,(H,19,21)
InChIKeyCQDNZUAOPATCJB-UHFFFAOYSA-N
XLogP1.52
TPSA114.77 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.44
LogP ≤ 51.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-cyano-N-[1-(7H-pyrrolo[2,3-h][2,6]naphthyridin-1-yl)piperidin-3-yl]methanesulfonamide?
The IUPAC name of 1-cyano-N-[1-(7H-pyrrolo[2,3-h][2,6]naphthyridin-1-yl)piperidin-3-yl]methanesulfonamide (CID 123551195) is 1-cyano-N-[1-(7H-pyrrolo[2,3-h][2,6]naphthyridin-1-yl)piperidin-3-yl]methanesulfonamide.
What is the SMILES notation for 1-cyano-N-[1-(7H-pyrrolo[2,3-h][2,6]naphthyridin-1-yl)piperidin-3-yl]methanesulfonamide?
The canonical SMILES for 1-cyano-N-[1-(7H-pyrrolo[2,3-h][2,6]naphthyridin-1-yl)piperidin-3-yl]methanesulfonamide is N#CCS(=O)(=O)NC1CCCN(c2nccc3cnc4[nH]ccc4c23)C1.
What is the InChIKey of 1-cyano-N-[1-(7H-pyrrolo[2,3-h][2,6]naphthyridin-1-yl)piperidin-3-yl]methanesulfonamide?
The InChIKey is CQDNZUAOPATCJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N6O2S/c18-5-9-26(24,25)22-13-2-1-8-23(11-13)17-15-12(3-6-20-17)10-21-16-14(15)4-7-19-16/h3-4,6-7,10,13,22H,1-2,8-9,11H2,(H,19,21).
What are the key properties of 1-cyano-N-[1-(7H-pyrrolo[2,3-h][2,6]naphthyridin-1-yl)piperidin-3-yl]methanesulfonamide?
1-cyano-N-[1-(7H-pyrrolo[2,3-h][2,6]naphthyridin-1-yl)piperidin-3-yl]methanesulfonamide has a molecular weight of 370.44 g/mol, XLogP of 1.52, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyano-N-[1-(7H-pyrrolo[2,3-h][2,6]naphthyridin-1-yl)piperidin-3-yl]methanesulfonamide is sourced from PubChem (CID 123551195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).