N-isoquinolin-5-yl-3-[(2S)-2-methylpiperidin-1-yl]azetidine-1-carboxamide

C19H24N4O — CID 97435446

IUPACN-isoquinolin-5-yl-3-[(2S)-2-methylpiperidin-1-yl]azetidine-1-carboxamide
SMILESC[C@H]1CCCCN1C1CN(C(=O)Nc2cccc3cnccc23)C1
InChIInChI=1S/C19H24N4O/c1-14-5-2-3-10-23(14)16-12-22(13-16)19(24)21-18-7-4-6-15-11-20-9-8-17(15)18/h4,6-9,11,14,16H,2-3,5,10,12-13H2,1H3,(H,21,24)/t14-/m0/s1
InChIKeyDFZJMIHICJWSKC-AWEZNQCLSA-N
MW324.43 g/mol
LogP3.33
Rot. Bonds2

About N-isoquinolin-5-yl-3-[(2S)-2-methylpiperidin-1-yl]azetidine-1-carboxamide

N-isoquinolin-5-yl-3-[(2S)-2-methylpiperidin-1-yl]azetidine-1-carboxamide (PubChem CID 97435446) has the molecular formula C19H24N4O and a molecular weight of 324.43 g/mol. Its IUPAC name is N-isoquinolin-5-yl-3-[(2S)-2-methylpiperidin-1-yl]azetidine-1-carboxamide.

Molecular Properties

Compound NameN-isoquinolin-5-yl-3-[(2S)-2-methylpiperidin-1-yl]azetidine-1-carboxamide
PubChem CID97435446
Molecular FormulaC19H24N4O
Molecular Weight324.43 g/mol
Exact Mass324.20
IUPAC NameN-isoquinolin-5-yl-3-[(2S)-2-methylpiperidin-1-yl]azetidine-1-carboxamide
SMILESC[C@H]1CCCCN1C1CN(C(=O)Nc2cccc3cnccc23)C1
InChIInChI=1S/C19H24N4O/c1-14-5-2-3-10-23(14)16-12-22(13-16)19(24)21-18-7-4-6-15-11-20-9-8-17(15)18/h4,6-9,11,14,16H,2-3,5,10,12-13H2,1H3,(H,21,24)/t14-/m0/s1
InChIKeyDFZJMIHICJWSKC-AWEZNQCLSA-N
XLogP3.33
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.43
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(2S)-2-methylpiperidin-1-yl]-N-(2-methyl-3-pyrrolidin-1-ylphenyl)azetidine-1-carboxamide
CID 125166113
3-[(2S)-2-methylpiperidin-1-yl]-N-(4-pyridin-3-yloxyphenyl)azetidine-1-carboxamide
CID 97434495
4-(3-chloro-2-pyridinyl)-N-isoquinolin-5-ylpiperazine-1-carboxamide
CID 46182544
N-(2-chloro-6-methylphenyl)-3-[(2S)-2-methylpiperidin-1-yl]azetidine-1-carboxamide
CID 97268968
4-(3,4-dimethylphenyl)-N-isoquinolin-5-ylpiperazine-1-carboxamide
CID 10067089
1-[3-[(2S)-2-methylpiperidin-1-yl]azetidin-1-yl]-2-pyridin-3-ylethanone
CID 96582023
N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-3-[(2R)-2-methylpiperidin-1-yl]azetidine-1-carboxamide
CID 125160828
2-(3-chlorophenyl)-N-isoquinolin-5-ylpyrrolidine-1-carboxamide
CID 47049591
N-[3-(furan-2-yl)phenyl]-3-[(2R)-2-methylpiperidin-1-yl]azetidine-1-carboxamide
CID 125176510
(2R)-N-isoquinolin-5-yl-2-(1-methylpyrrol-2-yl)pyrrolidine-1-carboxamide
CID 95150749
3-[(3aR,7aS)-1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl]-N-isoquinolin-5-ylpropanamide
CID 8763248
N-isoquinolin-5-yl-2-oxo-2-[3-(trifluoromethyl)piperidin-1-yl]acetamide
CID 71889050

Frequently Asked Questions

What is the IUPAC name of N-isoquinolin-5-yl-3-[(2S)-2-methylpiperidin-1-yl]azetidine-1-carboxamide?
The IUPAC name of N-isoquinolin-5-yl-3-[(2S)-2-methylpiperidin-1-yl]azetidine-1-carboxamide (CID 97435446) is N-isoquinolin-5-yl-3-[(2S)-2-methylpiperidin-1-yl]azetidine-1-carboxamide.
What is the SMILES notation for N-isoquinolin-5-yl-3-[(2S)-2-methylpiperidin-1-yl]azetidine-1-carboxamide?
The canonical SMILES for N-isoquinolin-5-yl-3-[(2S)-2-methylpiperidin-1-yl]azetidine-1-carboxamide is C[C@H]1CCCCN1C1CN(C(=O)Nc2cccc3cnccc23)C1.
What is the InChIKey of N-isoquinolin-5-yl-3-[(2S)-2-methylpiperidin-1-yl]azetidine-1-carboxamide?
The InChIKey is DFZJMIHICJWSKC-AWEZNQCLSA-N. The full InChI is InChI=1S/C19H24N4O/c1-14-5-2-3-10-23(14)16-12-22(13-16)19(24)21-18-7-4-6-15-11-20-9-8-17(15)18/h4,6-9,11,14,16H,2-3,5,10,12-13H2,1H3,(H,21,24)/t14-/m0/s1.
What are the key properties of N-isoquinolin-5-yl-3-[(2S)-2-methylpiperidin-1-yl]azetidine-1-carboxamide?
N-isoquinolin-5-yl-3-[(2S)-2-methylpiperidin-1-yl]azetidine-1-carboxamide has a molecular weight of 324.43 g/mol, XLogP of 3.33, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-isoquinolin-5-yl-3-[(2S)-2-methylpiperidin-1-yl]azetidine-1-carboxamide is sourced from PubChem (CID 97435446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).