N-[3-[2-(chloromethyl)imidazo[4,5-c][1,5]naphthyridin-1-yl]propyl]methanesulfonamide

C14H16ClN5O2S — CID 66958603

IUPACN-[3-[2-(chloromethyl)imidazo[4,5-c][1,5]naphthyridin-1-yl]propyl]methanesulfonamide
SMILESCS(=O)(=O)NCCCn1c(CCl)nc2cnc3cccnc3c21
InChIInChI=1S/C14H16ClN5O2S/c1-23(21,22)18-6-3-7-20-12(8-15)19-11-9-17-10-4-2-5-16-13(10)14(11)20/h2,4-5,9,18H,3,6-8H2,1H3
InChIKeyRXMCJGBYJDWNSD-UHFFFAOYSA-N
MW353.84 g/mol
LogP1.66
Rot. Bonds6

About N-[3-[2-(chloromethyl)imidazo[4,5-c][1,5]naphthyridin-1-yl]propyl]methanesulfonamide

N-[3-[2-(chloromethyl)imidazo[4,5-c][1,5]naphthyridin-1-yl]propyl]methanesulfonamide (PubChem CID 66958603) has the molecular formula C14H16ClN5O2S and a molecular weight of 353.84 g/mol. Its IUPAC name is N-[3-[2-(chloromethyl)imidazo[4,5-c][1,5]naphthyridin-1-yl]propyl]methanesulfonamide.

Molecular Properties

Compound NameN-[3-[2-(chloromethyl)imidazo[4,5-c][1,5]naphthyridin-1-yl]propyl]methanesulfonamide
PubChem CID66958603
Molecular FormulaC14H16ClN5O2S
Molecular Weight353.84 g/mol
Exact Mass353.07
IUPAC NameN-[3-[2-(chloromethyl)imidazo[4,5-c][1,5]naphthyridin-1-yl]propyl]methanesulfonamide
SMILESCS(=O)(=O)NCCCn1c(CCl)nc2cnc3cccnc3c21
InChIInChI=1S/C14H16ClN5O2S/c1-23(21,22)18-6-3-7-20-12(8-15)19-11-9-17-10-4-2-5-16-13(10)14(11)20/h2,4-5,9,18H,3,6-8H2,1H3
InChIKeyRXMCJGBYJDWNSD-UHFFFAOYSA-N
XLogP1.66
TPSA89.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.84
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

CID 10309114
CID 10309114
CID 6450818
CID 6450818
CID 90183696
CID 90183696
CID 126720397
CID 126720397
CID 20703632
CID 20703632
CID 44578570
CID 44578570
CID 117886834
CID 117886834
CID 117887727
CID 117887727
CID 126720436
CID 126720436
CID 58177366
CID 58177366
CID 9942845
CID 9942845
CID 16024672
CID 16024672

Frequently Asked Questions

What is the IUPAC name of N-[3-[2-(chloromethyl)imidazo[4,5-c][1,5]naphthyridin-1-yl]propyl]methanesulfonamide?
The IUPAC name of N-[3-[2-(chloromethyl)imidazo[4,5-c][1,5]naphthyridin-1-yl]propyl]methanesulfonamide (CID 66958603) is N-[3-[2-(chloromethyl)imidazo[4,5-c][1,5]naphthyridin-1-yl]propyl]methanesulfonamide.
What is the SMILES notation for N-[3-[2-(chloromethyl)imidazo[4,5-c][1,5]naphthyridin-1-yl]propyl]methanesulfonamide?
The canonical SMILES for N-[3-[2-(chloromethyl)imidazo[4,5-c][1,5]naphthyridin-1-yl]propyl]methanesulfonamide is CS(=O)(=O)NCCCn1c(CCl)nc2cnc3cccnc3c21.
What is the InChIKey of N-[3-[2-(chloromethyl)imidazo[4,5-c][1,5]naphthyridin-1-yl]propyl]methanesulfonamide?
The InChIKey is RXMCJGBYJDWNSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClN5O2S/c1-23(21,22)18-6-3-7-20-12(8-15)19-11-9-17-10-4-2-5-16-13(10)14(11)20/h2,4-5,9,18H,3,6-8H2,1H3.
What are the key properties of N-[3-[2-(chloromethyl)imidazo[4,5-c][1,5]naphthyridin-1-yl]propyl]methanesulfonamide?
N-[3-[2-(chloromethyl)imidazo[4,5-c][1,5]naphthyridin-1-yl]propyl]methanesulfonamide has a molecular weight of 353.84 g/mol, XLogP of 1.66, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[2-(chloromethyl)imidazo[4,5-c][1,5]naphthyridin-1-yl]propyl]methanesulfonamide is sourced from PubChem (CID 66958603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).