N,N-dimethyl-2-[[(7S)-1-methyl-5-methylsulfonyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-7-yl]methoxy]acetamide

C13H22N4O4S — CID 97368363

IUPACN,N-dimethyl-2-[[(7S)-1-methyl-5-methylsulfonyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-7-yl]methoxy]acetamide
SMILESCN(C)C(=O)COC[C@H]1CN(S(C)(=O)=O)Cc2ncn(C)c21
InChIInChI=1S/C13H22N4O4S/c1-15(2)12(18)8-21-7-10-5-17(22(4,19)20)6-11-13(10)16(3)9-14-11/h9-10H,5-8H2,1-4H3/t10-/m1/s1
InChIKeyKGVLXNOCUKDGNB-SNVBAGLBSA-N
MW330.41 g/mol
LogP-0.62
Rot. Bonds5

About N,N-dimethyl-2-[[(7S)-1-methyl-5-methylsulfonyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-7-yl]methoxy]acetamide

N,N-dimethyl-2-[[(7S)-1-methyl-5-methylsulfonyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-7-yl]methoxy]acetamide (PubChem CID 97368363) has the molecular formula C13H22N4O4S and a molecular weight of 330.41 g/mol. Its IUPAC name is N,N-dimethyl-2-[[(7S)-1-methyl-5-methylsulfonyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-7-yl]methoxy]acetamide.

Molecular Properties

Compound NameN,N-dimethyl-2-[[(7S)-1-methyl-5-methylsulfonyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-7-yl]methoxy]acetamide
PubChem CID97368363
Molecular FormulaC13H22N4O4S
Molecular Weight330.41 g/mol
Exact Mass330.14
IUPAC NameN,N-dimethyl-2-[[(7S)-1-methyl-5-methylsulfonyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-7-yl]methoxy]acetamide
SMILESCN(C)C(=O)COC[C@H]1CN(S(C)(=O)=O)Cc2ncn(C)c21
InChIInChI=1S/C13H22N4O4S/c1-15(2)12(18)8-21-7-10-5-17(22(4,19)20)6-11-13(10)16(3)9-14-11/h9-10H,5-8H2,1-4H3/t10-/m1/s1
InChIKeyKGVLXNOCUKDGNB-SNVBAGLBSA-N
XLogP-0.62
TPSA84.74 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.41
LogP ≤ 5-0.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-[[(7S)-1-methyl-5-methylsulfonyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-7-yl]methoxy]acetamide?
The IUPAC name of N,N-dimethyl-2-[[(7S)-1-methyl-5-methylsulfonyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-7-yl]methoxy]acetamide (CID 97368363) is N,N-dimethyl-2-[[(7S)-1-methyl-5-methylsulfonyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-7-yl]methoxy]acetamide.
What is the SMILES notation for N,N-dimethyl-2-[[(7S)-1-methyl-5-methylsulfonyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-7-yl]methoxy]acetamide?
The canonical SMILES for N,N-dimethyl-2-[[(7S)-1-methyl-5-methylsulfonyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-7-yl]methoxy]acetamide is CN(C)C(=O)COC[C@H]1CN(S(C)(=O)=O)Cc2ncn(C)c21.
What is the InChIKey of N,N-dimethyl-2-[[(7S)-1-methyl-5-methylsulfonyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-7-yl]methoxy]acetamide?
The InChIKey is KGVLXNOCUKDGNB-SNVBAGLBSA-N. The full InChI is InChI=1S/C13H22N4O4S/c1-15(2)12(18)8-21-7-10-5-17(22(4,19)20)6-11-13(10)16(3)9-14-11/h9-10H,5-8H2,1-4H3/t10-/m1/s1.
What are the key properties of N,N-dimethyl-2-[[(7S)-1-methyl-5-methylsulfonyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-7-yl]methoxy]acetamide?
N,N-dimethyl-2-[[(7S)-1-methyl-5-methylsulfonyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-7-yl]methoxy]acetamide has a molecular weight of 330.41 g/mol, XLogP of -0.62, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-[[(7S)-1-methyl-5-methylsulfonyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-7-yl]methoxy]acetamide is sourced from PubChem (CID 97368363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).