N-[2-(1-methylindazol-3-yl)propan-2-yl]-2-[(2S)-1-methylpyrrolidin-2-yl]acetamide

C18H26N4O — CID 166072170

IUPACN-[2-(1-methylindazol-3-yl)propan-2-yl]-2-[(2S)-1-methylpyrrolidin-2-yl]acetamide
SMILESCN1CCC[C@H]1CC(=O)NC(C)(C)c1nn(C)c2ccccc12
InChIInChI=1S/C18H26N4O/c1-18(2,19-16(23)12-13-8-7-11-21(13)3)17-14-9-5-6-10-15(14)22(4)20-17/h5-6,9-10,13H,7-8,11-12H2,1-4H3,(H,19,23)/t13-/m0/s1
InChIKeyRMHIDVRUUFWKER-ZDUSSCGKSA-N
MW314.43 g/mol
LogP2.41
Rot. Bonds4

About N-[2-(1-methylindazol-3-yl)propan-2-yl]-2-[(2S)-1-methylpyrrolidin-2-yl]acetamide

N-[2-(1-methylindazol-3-yl)propan-2-yl]-2-[(2S)-1-methylpyrrolidin-2-yl]acetamide (PubChem CID 166072170) has the molecular formula C18H26N4O and a molecular weight of 314.43 g/mol. Its IUPAC name is N-[2-(1-methylindazol-3-yl)propan-2-yl]-2-[(2S)-1-methylpyrrolidin-2-yl]acetamide.

Molecular Properties

Compound NameN-[2-(1-methylindazol-3-yl)propan-2-yl]-2-[(2S)-1-methylpyrrolidin-2-yl]acetamide
PubChem CID166072170
Molecular FormulaC18H26N4O
Molecular Weight314.43 g/mol
Exact Mass314.21
IUPAC NameN-[2-(1-methylindazol-3-yl)propan-2-yl]-2-[(2S)-1-methylpyrrolidin-2-yl]acetamide
SMILESCN1CCC[C@H]1CC(=O)NC(C)(C)c1nn(C)c2ccccc12
InChIInChI=1S/C18H26N4O/c1-18(2,19-16(23)12-13-8-7-11-21(13)3)17-14-9-5-6-10-15(14)22(4)20-17/h5-6,9-10,13H,7-8,11-12H2,1-4H3,(H,19,23)/t13-/m0/s1
InChIKeyRMHIDVRUUFWKER-ZDUSSCGKSA-N
XLogP2.41
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.43
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(4-methylisoquinolin-1-yl)propan-2-yl]-2-(1-methylpiperidin-2-yl)acetamide
CID 166072094
N-[2-(7-methyl-1,2-benzoxazol-3-yl)propan-2-yl]-2-[(2S)-1-methylpyrrolidin-2-yl]acetamide
CID 166072120
N-[2-(2-methoxy-3-methylphenyl)propan-2-yl]-2-[(2R)-1-methylpyrrolidin-2-yl]acetamide
CID 166072006
N-[2-(2-fluoro-3-methylphenyl)propan-2-yl]-2-[(2S)-1-methylpyrrolidin-2-yl]acetamide
CID 166072004
(1R,5S)-N-[2-(1-methylindazol-3-yl)propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide
CID 86294248
N-[2-(3-methylphenyl)propan-2-yl]-2-(1-methylpiperidin-2-yl)acetamide
CID 168742135
N-(1-hydroxy-2-methylpropan-2-yl)-2-[(2S)-1-methylpyrrolidin-2-yl]acetamide
CID 166072076
N-[2-(1-methylindazol-3-yl)propan-2-yl]formamide
CID 145079677
N-tert-butyl-2-(1-methylpiperidin-2-yl)acetamide
CID 110855384
2-(1-methylpyrrolidin-2-yl)-N-(pyridin-2-ylmethyl)acetamide
CID 110851953
N-(4-tert-butylphenyl)-2-(1-methylpyrrolidin-2-yl)acetamide
CID 110858473
N-[2-methyl-1-[(3-methyl-2-pyridinyl)oxy]propan-2-yl]-2-[(2R)-1-methylpyrrolidin-2-yl]acetamide
CID 166072035

Frequently Asked Questions

What is the IUPAC name of N-[2-(1-methylindazol-3-yl)propan-2-yl]-2-[(2S)-1-methylpyrrolidin-2-yl]acetamide?
The IUPAC name of N-[2-(1-methylindazol-3-yl)propan-2-yl]-2-[(2S)-1-methylpyrrolidin-2-yl]acetamide (CID 166072170) is N-[2-(1-methylindazol-3-yl)propan-2-yl]-2-[(2S)-1-methylpyrrolidin-2-yl]acetamide.
What is the SMILES notation for N-[2-(1-methylindazol-3-yl)propan-2-yl]-2-[(2S)-1-methylpyrrolidin-2-yl]acetamide?
The canonical SMILES for N-[2-(1-methylindazol-3-yl)propan-2-yl]-2-[(2S)-1-methylpyrrolidin-2-yl]acetamide is CN1CCC[C@H]1CC(=O)NC(C)(C)c1nn(C)c2ccccc12.
What is the InChIKey of N-[2-(1-methylindazol-3-yl)propan-2-yl]-2-[(2S)-1-methylpyrrolidin-2-yl]acetamide?
The InChIKey is RMHIDVRUUFWKER-ZDUSSCGKSA-N. The full InChI is InChI=1S/C18H26N4O/c1-18(2,19-16(23)12-13-8-7-11-21(13)3)17-14-9-5-6-10-15(14)22(4)20-17/h5-6,9-10,13H,7-8,11-12H2,1-4H3,(H,19,23)/t13-/m0/s1.
What are the key properties of N-[2-(1-methylindazol-3-yl)propan-2-yl]-2-[(2S)-1-methylpyrrolidin-2-yl]acetamide?
N-[2-(1-methylindazol-3-yl)propan-2-yl]-2-[(2S)-1-methylpyrrolidin-2-yl]acetamide has a molecular weight of 314.43 g/mol, XLogP of 2.41, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1-methylindazol-3-yl)propan-2-yl]-2-[(2S)-1-methylpyrrolidin-2-yl]acetamide is sourced from PubChem (CID 166072170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).