N,N-diethyl-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-3,6-dihydro-2H-pyridine-1-sulfonamide

C16H22N4O2S — CID 31843631

IUPACN,N-diethyl-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-3,6-dihydro-2H-pyridine-1-sulfonamide
SMILESCCN(CC)S(=O)(=O)N1CC=C(c2c[nH]c3ncccc23)CC1
InChIInChI=1S/C16H22N4O2S/c1-3-19(4-2)23(21,22)20-10-7-13(8-11-20)15-12-18-16-14(15)6-5-9-17-16/h5-7,9,12H,3-4,8,10-11H2,1-2H3,(H,17,18)
InChIKeyBMUJDEQBABWCSD-UHFFFAOYSA-N
MW334.45 g/mol
LogP2.24
Rot. Bonds5

About N,N-diethyl-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-3,6-dihydro-2H-pyridine-1-sulfonamide

N,N-diethyl-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-3,6-dihydro-2H-pyridine-1-sulfonamide (PubChem CID 31843631) has the molecular formula C16H22N4O2S and a molecular weight of 334.45 g/mol. Its IUPAC name is N,N-diethyl-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-3,6-dihydro-2H-pyridine-1-sulfonamide.

Molecular Properties

Compound NameN,N-diethyl-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-3,6-dihydro-2H-pyridine-1-sulfonamide
PubChem CID31843631
Molecular FormulaC16H22N4O2S
Molecular Weight334.45 g/mol
Exact Mass334.15
IUPAC NameN,N-diethyl-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-3,6-dihydro-2H-pyridine-1-sulfonamide
SMILESCCN(CC)S(=O)(=O)N1CC=C(c2c[nH]c3ncccc23)CC1
InChIInChI=1S/C16H22N4O2S/c1-3-19(4-2)23(21,22)20-10-7-13(8-11-20)15-12-18-16-14(15)6-5-9-17-16/h5-7,9,12H,3-4,8,10-11H2,1-2H3,(H,17,18)
InChIKeyBMUJDEQBABWCSD-UHFFFAOYSA-N
XLogP2.24
TPSA69.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.45
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[1-(benzenesulfonyl)-3,6-dihydro-2H-pyridin-4-yl]-1H-pyrrolo[2,3-b]pyridine
CID 31843281
3-[1-(2,3-dihydro-1H-inden-5-ylsulfonyl)-3,6-dihydro-2H-pyridin-4-yl]-1H-pyrrolo[2,3-b]pyridine
CID 24627233
3-(1-methylsulfinyl-3,6-dihydro-2H-pyridin-4-yl)-1H-pyrrolo[2,3-b]pyridine
CID 144855080
1-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-3,6-dihydro-2H-pyridin-1-yl]hexan-1-one
CID 24676138
3-(1-methyl-2,5-dihydropyrrol-3-yl)-1H-pyrrolo[2,3-b]pyridine
CID 58349740
2-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-3,6-dihydro-2H-pyridin-1-yl]-N-(2-thiophen-2-ylethyl)propanamide
CID 166211283
1-[4-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-3,6-dihydro-2H-pyridine-1-carbonyl]piperidin-1-yl]butan-1-one
CID 55888396
4-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-3,6-dihydro-2H-pyridine-1-carbonyl]benzamide
CID 75466601
N-[3-oxo-3-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-3,6-dihydro-2H-pyridin-1-yl]propyl]benzamide
CID 24632245
[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-3,6-dihydro-2H-pyridin-1-yl]-(2,4,5-trimethylfuran-3-yl)methanone
CID 24632257
5-[[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-3,6-dihydro-2H-pyridin-1-yl]methyl]oxolan-2-one
CID 154759623
benzyl 4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-3,6-dihydro-2H-pyridine-1-carboxylate
CID 44633230

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-3,6-dihydro-2H-pyridine-1-sulfonamide?
The IUPAC name of N,N-diethyl-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-3,6-dihydro-2H-pyridine-1-sulfonamide (CID 31843631) is N,N-diethyl-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-3,6-dihydro-2H-pyridine-1-sulfonamide.
What is the SMILES notation for N,N-diethyl-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-3,6-dihydro-2H-pyridine-1-sulfonamide?
The canonical SMILES for N,N-diethyl-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-3,6-dihydro-2H-pyridine-1-sulfonamide is CCN(CC)S(=O)(=O)N1CC=C(c2c[nH]c3ncccc23)CC1.
What is the InChIKey of N,N-diethyl-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-3,6-dihydro-2H-pyridine-1-sulfonamide?
The InChIKey is BMUJDEQBABWCSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O2S/c1-3-19(4-2)23(21,22)20-10-7-13(8-11-20)15-12-18-16-14(15)6-5-9-17-16/h5-7,9,12H,3-4,8,10-11H2,1-2H3,(H,17,18).
What are the key properties of N,N-diethyl-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-3,6-dihydro-2H-pyridine-1-sulfonamide?
N,N-diethyl-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-3,6-dihydro-2H-pyridine-1-sulfonamide has a molecular weight of 334.45 g/mol, XLogP of 2.24, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-3,6-dihydro-2H-pyridine-1-sulfonamide is sourced from PubChem (CID 31843631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).