N-[(2R,3S)-1-(7-chloro-1-propan-2-yl-2,6-naphthyridin-4-yl)-2-methylazetidin-3-yl]-N-methylmethanesulfonamide

C17H23ClN4O2S — CID 169186593

IUPACN-[(2R,3S)-1-(7-chloro-1-propan-2-yl-2,6-naphthyridin-4-yl)-2-methylazetidin-3-yl]-N-methylmethanesulfonamide
SMILESCC(C)c1ncc(N2C[C@H](N(C)S(C)(=O)=O)[C@H]2C)c2cnc(Cl)cc12
InChIInChI=1S/C17H23ClN4O2S/c1-10(2)17-12-6-16(18)19-7-13(12)14(8-20-17)22-9-15(11(22)3)21(4)25(5,23)24/h6-8,10-11,15H,9H2,1-5H3/t11-,15+/m1/s1
InChIKeyBSNFRVBSVRHBSN-ABAIWWIYSA-N
MW382.92 g/mol
LogP2.88
Rot. Bonds4

About N-[(2R,3S)-1-(7-chloro-1-propan-2-yl-2,6-naphthyridin-4-yl)-2-methylazetidin-3-yl]-N-methylmethanesulfonamide

N-[(2R,3S)-1-(7-chloro-1-propan-2-yl-2,6-naphthyridin-4-yl)-2-methylazetidin-3-yl]-N-methylmethanesulfonamide (PubChem CID 169186593) has the molecular formula C17H23ClN4O2S and a molecular weight of 382.92 g/mol. Its IUPAC name is N-[(2R,3S)-1-(7-chloro-1-propan-2-yl-2,6-naphthyridin-4-yl)-2-methylazetidin-3-yl]-N-methylmethanesulfonamide.

Molecular Properties

Compound NameN-[(2R,3S)-1-(7-chloro-1-propan-2-yl-2,6-naphthyridin-4-yl)-2-methylazetidin-3-yl]-N-methylmethanesulfonamide
PubChem CID169186593
Molecular FormulaC17H23ClN4O2S
Molecular Weight382.92 g/mol
Exact Mass382.12
IUPAC NameN-[(2R,3S)-1-(7-chloro-1-propan-2-yl-2,6-naphthyridin-4-yl)-2-methylazetidin-3-yl]-N-methylmethanesulfonamide
SMILESCC(C)c1ncc(N2C[C@H](N(C)S(C)(=O)=O)[C@H]2C)c2cnc(Cl)cc12
InChIInChI=1S/C17H23ClN4O2S/c1-10(2)17-12-6-16(18)19-7-13(12)14(8-20-17)22-9-15(11(22)3)21(4)25(5,23)24/h6-8,10-11,15H,9H2,1-5H3/t11-,15+/m1/s1
InChIKeyBSNFRVBSVRHBSN-ABAIWWIYSA-N
XLogP2.88
TPSA66.40 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.92
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

3-chloro-8-[(2R,3S)-2-methyl-3-methylsulfonylazetidin-1-yl]-5-propan-2-ylisoquinoline
CID 170710889
methyl 2-[7-chloro-4-(2-methylazetidin-1-yl)-2,6-naphthyridin-1-yl]propanoate
CID 175554464
3-chloro-5-methoxy-8-[(2R,3S)-2-methyl-3-(methylsulfonylmethyl)azetidin-1-yl]isoquinoline
CID 166465651
N-[4-[(3S,4R)-3-fluoro-4-methylpiperidin-1-yl]-1,3,5-triazin-2-yl]-8-[(2R,3S)-2-methyl-3-(methylsulfonylmethyl)azetidin-1-yl]-5-propan-2-yl-2,6-naphthyridin-3-amine
CID 175869098
(2R,3R)-1-(6-chloro-4-propan-2-yl-2,7-naphthyridin-1-yl)-2-methylazetidin-3-ol
CID 166547316
N-[1-(3-chloro-5-propan-2-ylisoquinolin-8-yl)azetidin-3-yl]-2-methoxy-N-methylethanesulfonamide
CID 177079471
3-chloro-8-[(2S,3R)-6-methylidene-2-methylsulfonyl-5-azaspiro[2.3]hexan-5-yl]-5-propan-2-ylisoquinoline
CID 166550102
(3R,4S)-3-fluoro-1-[4-[[8-[(2R,3S)-2-methyl-3-(methylsulfonylmethyl)azetidin-1-yl]-5-propan-2-yl-2,6-naphthyridin-3-yl]amino]pyrimidin-2-yl]piperidin-4-ol;molecular hydrogen
CID 156802209
6-chloro-1-(3,4-difluoropyrrolidin-1-yl)-4-propan-2-yl-2,7-naphthyridine
CID 167277006
6-chloro-1-[(3R,4S)-3,4-difluoropyrrolidin-1-yl]-4-propan-2-yl-2,7-naphthyridine
CID 166546989
N-[(2R,3S)-1-[3-[[2-(3-fluoro-4-methoxypiperidin-1-yl)pyrimidin-4-yl]amino]-5-propan-2-ylisoquinolin-8-yl]-2-methylazetidin-3-yl]-N-methylethanesulfonamide
CID 170048998
3-chloro-8-[3-(iodomethyl)azetidin-1-yl]-5-propan-2-ylisoquinoline
CID 156538673

Frequently Asked Questions

What is the IUPAC name of N-[(2R,3S)-1-(7-chloro-1-propan-2-yl-2,6-naphthyridin-4-yl)-2-methylazetidin-3-yl]-N-methylmethanesulfonamide?
The IUPAC name of N-[(2R,3S)-1-(7-chloro-1-propan-2-yl-2,6-naphthyridin-4-yl)-2-methylazetidin-3-yl]-N-methylmethanesulfonamide (CID 169186593) is N-[(2R,3S)-1-(7-chloro-1-propan-2-yl-2,6-naphthyridin-4-yl)-2-methylazetidin-3-yl]-N-methylmethanesulfonamide.
What is the SMILES notation for N-[(2R,3S)-1-(7-chloro-1-propan-2-yl-2,6-naphthyridin-4-yl)-2-methylazetidin-3-yl]-N-methylmethanesulfonamide?
The canonical SMILES for N-[(2R,3S)-1-(7-chloro-1-propan-2-yl-2,6-naphthyridin-4-yl)-2-methylazetidin-3-yl]-N-methylmethanesulfonamide is CC(C)c1ncc(N2C[C@H](N(C)S(C)(=O)=O)[C@H]2C)c2cnc(Cl)cc12.
What is the InChIKey of N-[(2R,3S)-1-(7-chloro-1-propan-2-yl-2,6-naphthyridin-4-yl)-2-methylazetidin-3-yl]-N-methylmethanesulfonamide?
The InChIKey is BSNFRVBSVRHBSN-ABAIWWIYSA-N. The full InChI is InChI=1S/C17H23ClN4O2S/c1-10(2)17-12-6-16(18)19-7-13(12)14(8-20-17)22-9-15(11(22)3)21(4)25(5,23)24/h6-8,10-11,15H,9H2,1-5H3/t11-,15+/m1/s1.
What are the key properties of N-[(2R,3S)-1-(7-chloro-1-propan-2-yl-2,6-naphthyridin-4-yl)-2-methylazetidin-3-yl]-N-methylmethanesulfonamide?
N-[(2R,3S)-1-(7-chloro-1-propan-2-yl-2,6-naphthyridin-4-yl)-2-methylazetidin-3-yl]-N-methylmethanesulfonamide has a molecular weight of 382.92 g/mol, XLogP of 2.88, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R,3S)-1-(7-chloro-1-propan-2-yl-2,6-naphthyridin-4-yl)-2-methylazetidin-3-yl]-N-methylmethanesulfonamide is sourced from PubChem (CID 169186593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).