2-(1-methylazetidin-3-yl)-N-[(3R,5S)-5-methyl-1-(8-methyl-1,7-naphthyridin-5-yl)piperidin-3-yl]acetamide

C21H29N5O — CID 129240789

IUPAC2-(1-methylazetidin-3-yl)-N-[(3R,5S)-5-methyl-1-(8-methyl-1,7-naphthyridin-5-yl)piperidin-3-yl]acetamide
SMILESCc1ncc(N2C[C@@H](C)C[C@@H](NC(=O)CC3CN(C)C3)C2)c2cccnc12
InChIInChI=1S/C21H29N5O/c1-14-7-17(24-20(27)8-16-11-25(3)12-16)13-26(10-14)19-9-23-15(2)21-18(19)5-4-6-22-21/h4-6,9,14,16-17H,7-8,10-13H2,1-3H3,(H,24,27)/t14-,17+/m0/s1
InChIKeyFHNXKPQEIXQRNM-WMLDXEAASA-N
MW367.50 g/mol
LogP2.22
Rot. Bonds4

About 2-(1-methylazetidin-3-yl)-N-[(3R,5S)-5-methyl-1-(8-methyl-1,7-naphthyridin-5-yl)piperidin-3-yl]acetamide

2-(1-methylazetidin-3-yl)-N-[(3R,5S)-5-methyl-1-(8-methyl-1,7-naphthyridin-5-yl)piperidin-3-yl]acetamide (PubChem CID 129240789) has the molecular formula C21H29N5O and a molecular weight of 367.50 g/mol. Its IUPAC name is 2-(1-methylazetidin-3-yl)-N-[(3R,5S)-5-methyl-1-(8-methyl-1,7-naphthyridin-5-yl)piperidin-3-yl]acetamide.

Molecular Properties

Compound Name2-(1-methylazetidin-3-yl)-N-[(3R,5S)-5-methyl-1-(8-methyl-1,7-naphthyridin-5-yl)piperidin-3-yl]acetamide
PubChem CID129240789
Molecular FormulaC21H29N5O
Molecular Weight367.50 g/mol
Exact Mass367.24
IUPAC Name2-(1-methylazetidin-3-yl)-N-[(3R,5S)-5-methyl-1-(8-methyl-1,7-naphthyridin-5-yl)piperidin-3-yl]acetamide
SMILESCc1ncc(N2C[C@@H](C)C[C@@H](NC(=O)CC3CN(C)C3)C2)c2cccnc12
InChIInChI=1S/C21H29N5O/c1-14-7-17(24-20(27)8-16-11-25(3)12-16)13-26(10-14)19-9-23-15(2)21-18(19)5-4-6-22-21/h4-6,9,14,16-17H,7-8,10-13H2,1-3H3,(H,24,27)/t14-,17+/m0/s1
InChIKeyFHNXKPQEIXQRNM-WMLDXEAASA-N
XLogP2.22
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.50
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-hydroxy-3-methyl-N-[(3R,5S)-5-methyl-1-(8-methyl-1,7-naphthyridin-5-yl)piperidin-3-yl]butanamide
CID 129241169
2-(1-methylazetidin-3-yl)-N-[5-methyl-1-[8-(trifluoromethyl)quinolin-5-yl]piperidin-3-yl]acetamide
CID 166776978
N-[(3R,5S)-1-(7-fluoro-8-methylquinolin-5-yl)-5-methylpiperidin-3-yl]-2-(3-methyl-3-azabicyclo[3.1.1]heptan-6-yl)acetamide
CID 146329286
2-(3-methyl-3-azabicyclo[3.1.1]heptan-6-yl)-N-[(3R,5S)-5-methyl-1-[8-(trifluoromethyl)quinolin-5-yl]piperidin-3-yl]acetamide
CID 156694826
(1S)-1-cyclopropyl-1-hydroxy-3-[(3S,5S)-5-methyl-1-(8-methyl-1,7-naphthyridin-5-yl)piperidin-3-yl]propan-2-one
CID 160511355
N-[(3R,5S)-1-(8-cyano-1,7-naphthyridin-5-yl)-5-methylpiperidin-3-yl]-2-[3-fluoro-1-(2-hydroxyethyl)piperidin-4-yl]acetamide
CID 146329555
2-[1-(2,2-difluoroethyl)piperidin-4-yl]-N-[(3R,5S)-5-methyl-1-[8-(trifluoromethyl)quinolin-5-yl]piperidin-3-yl]acetamide
CID 129241327
1-(1-aminocyclohexyl)-3-[(3S,5S)-5-methyl-1-(8-methyl-1,7-naphthyridin-5-yl)piperidin-3-yl]propan-2-one
CID 147736630
2-(3-aminoazetidin-1-yl)-N-[(3R,5S)-1-[8-(difluoromethyl)quinolin-5-yl]-5-methylpiperidin-3-yl]acetamide
CID 129240938
2-(4-methylpiperazin-1-yl)-N-[(3R,5S)-5-methyl-1-[8-(trifluoromethyl)quinolin-5-yl]piperidin-3-yl]acetamide
CID 129241135
3-amino-N-[(3R,5S)-5-methyl-1-[8-(trifluoromethyl)quinolin-5-yl]piperidin-3-yl]propanamide
CID 146316950
3,3-dimethyl-N-[5-methyl-1-[8-(trifluoromethyl)quinolin-5-yl]piperidin-3-yl]butanamide
CID 166776961

Frequently Asked Questions

What is the IUPAC name of 2-(1-methylazetidin-3-yl)-N-[(3R,5S)-5-methyl-1-(8-methyl-1,7-naphthyridin-5-yl)piperidin-3-yl]acetamide?
The IUPAC name of 2-(1-methylazetidin-3-yl)-N-[(3R,5S)-5-methyl-1-(8-methyl-1,7-naphthyridin-5-yl)piperidin-3-yl]acetamide (CID 129240789) is 2-(1-methylazetidin-3-yl)-N-[(3R,5S)-5-methyl-1-(8-methyl-1,7-naphthyridin-5-yl)piperidin-3-yl]acetamide.
What is the SMILES notation for 2-(1-methylazetidin-3-yl)-N-[(3R,5S)-5-methyl-1-(8-methyl-1,7-naphthyridin-5-yl)piperidin-3-yl]acetamide?
The canonical SMILES for 2-(1-methylazetidin-3-yl)-N-[(3R,5S)-5-methyl-1-(8-methyl-1,7-naphthyridin-5-yl)piperidin-3-yl]acetamide is Cc1ncc(N2C[C@@H](C)C[C@@H](NC(=O)CC3CN(C)C3)C2)c2cccnc12.
What is the InChIKey of 2-(1-methylazetidin-3-yl)-N-[(3R,5S)-5-methyl-1-(8-methyl-1,7-naphthyridin-5-yl)piperidin-3-yl]acetamide?
The InChIKey is FHNXKPQEIXQRNM-WMLDXEAASA-N. The full InChI is InChI=1S/C21H29N5O/c1-14-7-17(24-20(27)8-16-11-25(3)12-16)13-26(10-14)19-9-23-15(2)21-18(19)5-4-6-22-21/h4-6,9,14,16-17H,7-8,10-13H2,1-3H3,(H,24,27)/t14-,17+/m0/s1.
What are the key properties of 2-(1-methylazetidin-3-yl)-N-[(3R,5S)-5-methyl-1-(8-methyl-1,7-naphthyridin-5-yl)piperidin-3-yl]acetamide?
2-(1-methylazetidin-3-yl)-N-[(3R,5S)-5-methyl-1-(8-methyl-1,7-naphthyridin-5-yl)piperidin-3-yl]acetamide has a molecular weight of 367.50 g/mol, XLogP of 2.22, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methylazetidin-3-yl)-N-[(3R,5S)-5-methyl-1-(8-methyl-1,7-naphthyridin-5-yl)piperidin-3-yl]acetamide is sourced from PubChem (CID 129240789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).