N-[[7-(cyclopropylmethyl)-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]methanesulfonamide;dihydrochloride

C14H23Cl2N3O2S — CID 155849557

IUPACN-[[7-(cyclopropylmethyl)-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]methanesulfonamide;dihydrochloride
SMILESCS(=O)(=O)NCc1cncc2c1CCN(CC1CC1)C2.Cl.Cl
InChIInChI=1S/C14H21N3O2S.2ClH/c1-20(18,19)16-8-12-6-15-7-13-10-17(5-4-14(12)13)9-11-2-3-11;;/h6-7,11,16H,2-5,8-10H2,1H3;2*1H
InChIKeyMQFLVTCJQNSHOB-UHFFFAOYSA-N
MW368.33 g/mol
LogP1.74
Rot. Bonds5

About N-[[7-(cyclopropylmethyl)-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]methanesulfonamide;dihydrochloride

N-[[7-(cyclopropylmethyl)-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]methanesulfonamide;dihydrochloride (PubChem CID 155849557) has the molecular formula C14H23Cl2N3O2S and a molecular weight of 368.33 g/mol. Its IUPAC name is N-[[7-(cyclopropylmethyl)-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]methanesulfonamide;dihydrochloride.

Molecular Properties

Compound NameN-[[7-(cyclopropylmethyl)-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]methanesulfonamide;dihydrochloride
PubChem CID155849557
Molecular FormulaC14H23Cl2N3O2S
Molecular Weight368.33 g/mol
Exact Mass367.09
IUPAC NameN-[[7-(cyclopropylmethyl)-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]methanesulfonamide;dihydrochloride
SMILESCS(=O)(=O)NCc1cncc2c1CCN(CC1CC1)C2.Cl.Cl
InChIInChI=1S/C14H21N3O2S.2ClH/c1-20(18,19)16-8-12-6-15-7-13-10-17(5-4-14(12)13)9-11-2-3-11;;/h6-7,11,16H,2-5,8-10H2,1H3;2*1H
InChIKeyMQFLVTCJQNSHOB-UHFFFAOYSA-N
XLogP1.74
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.33
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[[7-(cyclopropylmethyl)-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]methanesulfonamide;dihydrochloride 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 N-[[7-(cyclopropylmethyl)-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]methanesulfonamide;dihydrochloride?
The IUPAC name of N-[[7-(cyclopropylmethyl)-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]methanesulfonamide;dihydrochloride (CID 155849557) is N-[[7-(cyclopropylmethyl)-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]methanesulfonamide;dihydrochloride.
What is the SMILES notation for N-[[7-(cyclopropylmethyl)-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]methanesulfonamide;dihydrochloride?
The canonical SMILES for N-[[7-(cyclopropylmethyl)-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]methanesulfonamide;dihydrochloride is CS(=O)(=O)NCc1cncc2c1CCN(CC1CC1)C2.Cl.Cl.
What is the InChIKey of N-[[7-(cyclopropylmethyl)-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]methanesulfonamide;dihydrochloride?
The InChIKey is MQFLVTCJQNSHOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O2S.2ClH/c1-20(18,19)16-8-12-6-15-7-13-10-17(5-4-14(12)13)9-11-2-3-11;;/h6-7,11,16H,2-5,8-10H2,1H3;2*1H.
What are the key properties of N-[[7-(cyclopropylmethyl)-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]methanesulfonamide;dihydrochloride?
N-[[7-(cyclopropylmethyl)-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]methanesulfonamide;dihydrochloride has a molecular weight of 368.33 g/mol, XLogP of 1.74, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[7-(cyclopropylmethyl)-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]methanesulfonamide;dihydrochloride is sourced from PubChem (CID 155849557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).