N,N-dimethyl-2-[(7-methylsulfonyl-6,8-dihydro-5H-2,7-naphthyridin-4-yl)methoxy]acetamide

C14H21N3O4S — CID 124809767

IUPACN,N-dimethyl-2-[(7-methylsulfonyl-6,8-dihydro-5H-2,7-naphthyridin-4-yl)methoxy]acetamide
SMILESCN(C)C(=O)COCc1cncc2c1CCN(S(C)(=O)=O)C2
InChIInChI=1S/C14H21N3O4S/c1-16(2)14(18)10-21-9-12-7-15-6-11-8-17(22(3,19)20)5-4-13(11)12/h6-7H,4-5,8-10H2,1-3H3
InChIKeyTWLPBSZACNOKQM-UHFFFAOYSA-N
MW327.41 g/mol
LogP0.00
Rot. Bonds5

About N,N-dimethyl-2-[(7-methylsulfonyl-6,8-dihydro-5H-2,7-naphthyridin-4-yl)methoxy]acetamide

N,N-dimethyl-2-[(7-methylsulfonyl-6,8-dihydro-5H-2,7-naphthyridin-4-yl)methoxy]acetamide (PubChem CID 124809767) has the molecular formula C14H21N3O4S and a molecular weight of 327.41 g/mol. Its IUPAC name is N,N-dimethyl-2-[(7-methylsulfonyl-6,8-dihydro-5H-2,7-naphthyridin-4-yl)methoxy]acetamide.

Molecular Properties

Compound NameN,N-dimethyl-2-[(7-methylsulfonyl-6,8-dihydro-5H-2,7-naphthyridin-4-yl)methoxy]acetamide
PubChem CID124809767
Molecular FormulaC14H21N3O4S
Molecular Weight327.41 g/mol
Exact Mass327.13
IUPAC NameN,N-dimethyl-2-[(7-methylsulfonyl-6,8-dihydro-5H-2,7-naphthyridin-4-yl)methoxy]acetamide
SMILESCN(C)C(=O)COCc1cncc2c1CCN(S(C)(=O)=O)C2
InChIInChI=1S/C14H21N3O4S/c1-16(2)14(18)10-21-9-12-7-15-6-11-8-17(22(3,19)20)5-4-13(11)12/h6-7H,4-5,8-10H2,1-3H3
InChIKeyTWLPBSZACNOKQM-UHFFFAOYSA-N
XLogP0.00
TPSA79.81 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.41
LogP ≤ 50.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(7-benzyl-6,8-dihydro-5H-2,7-naphthyridin-4-yl)methoxy]-N,N-dimethylacetamide;bis(2,2,2-trifluoroacetic acid)
CID 118746102
(7-methylsulfonyl-6,8-dihydro-5H-2,7-naphthyridin-4-yl)-pyrrolidin-1-ylmethanone
CID 112530448
2-[5-(methoxymethyl)-3,4-dihydro-1H-2,7-naphthyridin-2-yl]-N,N-dimethylacetamide;bis(2,2,2-trifluoroacetic acid)
CID 155839827
N-(2-methylpropyl)-7-methylsulfonyl-6,8-dihydro-5H-2,7-naphthyridine-4-carboxamide
CID 112520050
1-[5-(cyclopropylmethoxymethyl)-3,4-dihydro-1H-2,7-naphthyridin-2-yl]-3-methylsulfonylpropan-1-one
CID 131689668
1-[5-(cyclopropylmethoxymethyl)-3,4-dihydro-1H-2,7-naphthyridin-2-yl]-2-ethoxyethanone
CID 97463820
5-(methoxymethyl)-2-(1-methylimidazol-4-yl)sulfonyl-3,4-dihydro-1H-2,7-naphthyridine
CID 97463690
[4-(hydroxymethyl)piperidin-1-yl]-(7-methylsulfonyl-6,8-dihydro-5H-2,7-naphthyridin-4-yl)methanone
CID 112531750
1-[5-(cyclopropylmethoxymethyl)-3,4-dihydro-1H-2,7-naphthyridin-2-yl]ethanone
CID 155878126
7-methylsulfonyl-N-[(4-methylsulfonylphenyl)methyl]-6,8-dihydro-5H-2,7-naphthyridine-4-carboxamide
CID 112522292
7-methylsulfonyl-N-pyrrolidin-3-yl-6,8-dihydro-5H-2,7-naphthyridine-4-carboxamide
CID 112530801
cyclopent-3-en-1-yl-[5-(cyclopropylmethoxymethyl)-3,4-dihydro-1H-2,7-naphthyridin-2-yl]methanone
CID 124803044

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-[(7-methylsulfonyl-6,8-dihydro-5H-2,7-naphthyridin-4-yl)methoxy]acetamide?
The IUPAC name of N,N-dimethyl-2-[(7-methylsulfonyl-6,8-dihydro-5H-2,7-naphthyridin-4-yl)methoxy]acetamide (CID 124809767) is N,N-dimethyl-2-[(7-methylsulfonyl-6,8-dihydro-5H-2,7-naphthyridin-4-yl)methoxy]acetamide.
What is the SMILES notation for N,N-dimethyl-2-[(7-methylsulfonyl-6,8-dihydro-5H-2,7-naphthyridin-4-yl)methoxy]acetamide?
The canonical SMILES for N,N-dimethyl-2-[(7-methylsulfonyl-6,8-dihydro-5H-2,7-naphthyridin-4-yl)methoxy]acetamide is CN(C)C(=O)COCc1cncc2c1CCN(S(C)(=O)=O)C2.
What is the InChIKey of N,N-dimethyl-2-[(7-methylsulfonyl-6,8-dihydro-5H-2,7-naphthyridin-4-yl)methoxy]acetamide?
The InChIKey is TWLPBSZACNOKQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O4S/c1-16(2)14(18)10-21-9-12-7-15-6-11-8-17(22(3,19)20)5-4-13(11)12/h6-7H,4-5,8-10H2,1-3H3.
What are the key properties of N,N-dimethyl-2-[(7-methylsulfonyl-6,8-dihydro-5H-2,7-naphthyridin-4-yl)methoxy]acetamide?
N,N-dimethyl-2-[(7-methylsulfonyl-6,8-dihydro-5H-2,7-naphthyridin-4-yl)methoxy]acetamide has a molecular weight of 327.41 g/mol, XLogP of 0.00, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-[(7-methylsulfonyl-6,8-dihydro-5H-2,7-naphthyridin-4-yl)methoxy]acetamide is sourced from PubChem (CID 124809767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).