N-[[7-(1H-pyrrole-2-carbonyl)-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]methanesulfonamide

C15H18N4O3S — CID 97389727

IUPACN-[[7-(1H-pyrrole-2-carbonyl)-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]methanesulfonamide
SMILESCS(=O)(=O)NCc1cncc2c1CCN(C(=O)c1ccc[nH]1)C2
InChIInChI=1S/C15H18N4O3S/c1-23(21,22)18-9-11-7-16-8-12-10-19(6-4-13(11)12)15(20)14-3-2-5-17-14/h2-3,5,7-8,17-18H,4,6,9-10H2,1H3
InChIKeySXGGODGEFOLFAP-UHFFFAOYSA-N
MW334.40 g/mol
LogP0.66
Rot. Bonds4

About N-[[7-(1H-pyrrole-2-carbonyl)-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]methanesulfonamide

N-[[7-(1H-pyrrole-2-carbonyl)-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]methanesulfonamide (PubChem CID 97389727) has the molecular formula C15H18N4O3S and a molecular weight of 334.40 g/mol. Its IUPAC name is N-[[7-(1H-pyrrole-2-carbonyl)-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]methanesulfonamide.

Molecular Properties

Compound NameN-[[7-(1H-pyrrole-2-carbonyl)-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]methanesulfonamide
PubChem CID97389727
Molecular FormulaC15H18N4O3S
Molecular Weight334.40 g/mol
Exact Mass334.11
IUPAC NameN-[[7-(1H-pyrrole-2-carbonyl)-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]methanesulfonamide
SMILESCS(=O)(=O)NCc1cncc2c1CCN(C(=O)c1ccc[nH]1)C2
InChIInChI=1S/C15H18N4O3S/c1-23(21,22)18-9-11-7-16-8-12-10-19(6-4-13(11)12)15(20)14-3-2-5-17-14/h2-3,5,7-8,17-18H,4,6,9-10H2,1H3
InChIKeySXGGODGEFOLFAP-UHFFFAOYSA-N
XLogP0.66
TPSA95.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.40
LogP ≤ 50.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[[7-(1H-pyrrole-2-carbonyl)-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]methanesulfonamide with MolForge

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Related Compounds

[5-(pyridin-3-ylmethoxymethyl)-3,4-dihydro-1H-2,7-naphthyridin-2-yl]-(1H-pyrrol-2-yl)methanone
CID 97389692
N-[[7-(cyclopropylmethyl)-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]methanesulfonamide;dihydrochloride
CID 155849557
1-[5-(methoxymethyl)-3,4-dihydro-1H-2,7-naphthyridin-2-yl]ethanone
CID 97463707
[5-(methoxymethyl)-3,4-dihydro-1H-2,7-naphthyridin-2-yl]-(1-methylpyrrol-2-yl)methanone
CID 97381920
N-[[3-methyl-7-[2-(2-methyl-1H-indol-3-yl)acetyl]-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]methanesulfonamide
CID 56853616
furan-2-yl-[5-[[(6-methylpyridazin-3-yl)amino]methyl]-3,4-dihydro-1H-2,7-naphthyridin-2-yl]methanone
CID 97389767
[4-(dimethylamino)-2-pyridin-4-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-(1H-pyrrol-2-yl)methanone
CID 56863729
[3-(methoxymethyl)-1-propan-2-yl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-(1H-pyrrol-2-yl)methanone
CID 97405833
1-(7-methyl-6,8-dihydro-5H-2,7-naphthyridin-4-yl)propan-2-one
CID 83832573
5-[[(2-methylpyrimidin-4-yl)amino]methyl]-N-propan-2-yl-3,4-dihydro-1H-2,7-naphthyridine-2-carboxamide
CID 97463956
N-[[3-methyl-7-[4-(5-methylfuran-2-yl)benzoyl]-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]methanesulfonamide
CID 42340437
1-[5-[(dimethylamino)methyl]-3,4-dihydro-1H-2,7-naphthyridin-2-yl]-2-[methyl(propan-2-yl)amino]ethanone
CID 131689696

Frequently Asked Questions

What is the IUPAC name of N-[[7-(1H-pyrrole-2-carbonyl)-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]methanesulfonamide?
The IUPAC name of N-[[7-(1H-pyrrole-2-carbonyl)-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]methanesulfonamide (CID 97389727) is N-[[7-(1H-pyrrole-2-carbonyl)-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]methanesulfonamide.
What is the SMILES notation for N-[[7-(1H-pyrrole-2-carbonyl)-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]methanesulfonamide?
The canonical SMILES for N-[[7-(1H-pyrrole-2-carbonyl)-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]methanesulfonamide is CS(=O)(=O)NCc1cncc2c1CCN(C(=O)c1ccc[nH]1)C2.
What is the InChIKey of N-[[7-(1H-pyrrole-2-carbonyl)-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]methanesulfonamide?
The InChIKey is SXGGODGEFOLFAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O3S/c1-23(21,22)18-9-11-7-16-8-12-10-19(6-4-13(11)12)15(20)14-3-2-5-17-14/h2-3,5,7-8,17-18H,4,6,9-10H2,1H3.
What are the key properties of N-[[7-(1H-pyrrole-2-carbonyl)-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]methanesulfonamide?
N-[[7-(1H-pyrrole-2-carbonyl)-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]methanesulfonamide has a molecular weight of 334.40 g/mol, XLogP of 0.66, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[7-(1H-pyrrole-2-carbonyl)-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]methanesulfonamide is sourced from PubChem (CID 97389727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).