N-[[7-(pyridine-2-carbonyl)-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-3-yl]methyl]methanesulfonamide

C15H19N5O3S — CID 97390230

IUPACN-[[7-(pyridine-2-carbonyl)-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-3-yl]methyl]methanesulfonamide
SMILESCS(=O)(=O)NCc1cnc2n1CCN(C(=O)c1ccccn1)CC2
InChIInChI=1S/C15H19N5O3S/c1-24(22,23)18-11-12-10-17-14-5-7-19(8-9-20(12)14)15(21)13-4-2-3-6-16-13/h2-4,6,10,18H,5,7-9,11H2,1H3
InChIKeyLTXZOQYLJXVWKJ-UHFFFAOYSA-N
MW349.42 g/mol
LogP0.03
Rot. Bonds4

About N-[[7-(pyridine-2-carbonyl)-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-3-yl]methyl]methanesulfonamide

N-[[7-(pyridine-2-carbonyl)-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-3-yl]methyl]methanesulfonamide (PubChem CID 97390230) has the molecular formula C15H19N5O3S and a molecular weight of 349.42 g/mol. Its IUPAC name is N-[[7-(pyridine-2-carbonyl)-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-3-yl]methyl]methanesulfonamide.

Molecular Properties

Compound NameN-[[7-(pyridine-2-carbonyl)-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-3-yl]methyl]methanesulfonamide
PubChem CID97390230
Molecular FormulaC15H19N5O3S
Molecular Weight349.42 g/mol
Exact Mass349.12
IUPAC NameN-[[7-(pyridine-2-carbonyl)-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-3-yl]methyl]methanesulfonamide
SMILESCS(=O)(=O)NCc1cnc2n1CCN(C(=O)c1ccccn1)CC2
InChIInChI=1S/C15H19N5O3S/c1-24(22,23)18-11-12-10-17-14-5-7-19(8-9-20(12)14)15(21)13-4-2-3-6-16-13/h2-4,6,10,18H,5,7-9,11H2,1H3
InChIKeyLTXZOQYLJXVWKJ-UHFFFAOYSA-N
XLogP0.03
TPSA97.19 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.42
LogP ≤ 50.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[[7-(pyridine-2-carbonyl)-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-3-yl]methyl]methanesulfonamide with MolForge

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Related Compounds

N-[[7-[(1-methylpyrazol-4-yl)methyl]-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-3-yl]methyl]methanesulfonamide
CID 97467162
[4-(2-cyclopropylpropylsulfonyl)piperazin-1-yl]-pyridin-2-ylmethanone
CID 146149234
[4-(4-methylpiperazin-1-yl)sulfonylpiperazin-1-yl]-pyridin-2-ylmethanone
CID 55652947
[3-[[methyl(propan-2-yl)amino]methyl]-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-7-yl]-(5-methylpyrazin-2-yl)methanone
CID 97390192
[4-(2-methylpropylsulfonyl)piperidin-1-yl]-pyridin-2-ylmethanone
CID 90589965
N-[[(7S)-2-(pyridine-2-carbonyl)-5-oxa-2-azaspiro[3.5]nonan-7-yl]methyl]methanesulfonamide
CID 124783221
N-butan-2-yl-2-[4-(pyridine-2-carbonyl)piperazin-1-yl]acetamide
CID 134049016
[4-[(4-methylphenyl)methylsulfonyl]piperazin-1-yl]-pyridin-2-ylmethanone
CID 110805305
[4-(piperidine-1-carbonyl)piperazin-1-yl]-pyridin-2-ylmethanone
CID 30346280
(2-hydroxyphenyl)-[4-(pyridine-2-carbonyl)piperazin-1-yl]methanone
CID 108534823
1-[4-[4-(pyridine-2-carbonyl)piperazine-1-carbonyl]piperidin-1-yl]ethanone
CID 110814030
[4-(4-butan-2-ylphenyl)sulfonylpiperazin-1-yl]-pyridin-2-ylmethanone
CID 42905627

Frequently Asked Questions

What is the IUPAC name of N-[[7-(pyridine-2-carbonyl)-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-3-yl]methyl]methanesulfonamide?
The IUPAC name of N-[[7-(pyridine-2-carbonyl)-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-3-yl]methyl]methanesulfonamide (CID 97390230) is N-[[7-(pyridine-2-carbonyl)-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-3-yl]methyl]methanesulfonamide.
What is the SMILES notation for N-[[7-(pyridine-2-carbonyl)-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-3-yl]methyl]methanesulfonamide?
The canonical SMILES for N-[[7-(pyridine-2-carbonyl)-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-3-yl]methyl]methanesulfonamide is CS(=O)(=O)NCc1cnc2n1CCN(C(=O)c1ccccn1)CC2.
What is the InChIKey of N-[[7-(pyridine-2-carbonyl)-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-3-yl]methyl]methanesulfonamide?
The InChIKey is LTXZOQYLJXVWKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N5O3S/c1-24(22,23)18-11-12-10-17-14-5-7-19(8-9-20(12)14)15(21)13-4-2-3-6-16-13/h2-4,6,10,18H,5,7-9,11H2,1H3.
What are the key properties of N-[[7-(pyridine-2-carbonyl)-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-3-yl]methyl]methanesulfonamide?
N-[[7-(pyridine-2-carbonyl)-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-3-yl]methyl]methanesulfonamide has a molecular weight of 349.42 g/mol, XLogP of 0.03, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[7-(pyridine-2-carbonyl)-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-3-yl]methyl]methanesulfonamide is sourced from PubChem (CID 97390230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).