N-[[2-(dimethylamino)-3-pyridinyl]methyl]-2-(1H-indol-3-yl)acetamide

C18H20N4O — CID 46463836

IUPACN-[[2-(dimethylamino)-3-pyridinyl]methyl]-2-(1H-indol-3-yl)acetamide
SMILESCN(C)c1ncccc1CNC(=O)Cc1c[nH]c2ccccc12
InChIInChI=1S/C18H20N4O/c1-22(2)18-13(6-5-9-19-18)11-21-17(23)10-14-12-20-16-8-4-3-7-15(14)16/h3-9,12,20H,10-11H2,1-2H3,(H,21,23)
InChIKeyDTYPVDZWYYTTAV-UHFFFAOYSA-N
MW308.39 g/mol
LogP2.49
Rot. Bonds5

About N-[[2-(dimethylamino)-3-pyridinyl]methyl]-2-(1H-indol-3-yl)acetamide

N-[[2-(dimethylamino)-3-pyridinyl]methyl]-2-(1H-indol-3-yl)acetamide (PubChem CID 46463836) has the molecular formula C18H20N4O and a molecular weight of 308.39 g/mol. Its IUPAC name is N-[[2-(dimethylamino)-3-pyridinyl]methyl]-2-(1H-indol-3-yl)acetamide.

Molecular Properties

Compound NameN-[[2-(dimethylamino)-3-pyridinyl]methyl]-2-(1H-indol-3-yl)acetamide
PubChem CID46463836
Molecular FormulaC18H20N4O
Molecular Weight308.39 g/mol
Exact Mass308.16
IUPAC NameN-[[2-(dimethylamino)-3-pyridinyl]methyl]-2-(1H-indol-3-yl)acetamide
SMILESCN(C)c1ncccc1CNC(=O)Cc1c[nH]c2ccccc12
InChIInChI=1S/C18H20N4O/c1-22(2)18-13(6-5-9-19-18)11-21-17(23)10-14-12-20-16-8-4-3-7-15(14)16/h3-9,12,20H,10-11H2,1-2H3,(H,21,23)
InChIKeyDTYPVDZWYYTTAV-UHFFFAOYSA-N
XLogP2.49
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.39
LogP ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[2-(dimethylamino)-3-pyridinyl]methyl]-1H-indazole-3-carboxamide
CID 42594608
2-(1H-indol-3-yl)-N-[[2-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]acetamide
CID 47081718
N-(1H-indol-3-ylmethyl)pyridine-2-carboxamide
CID 110673234
2-(1H-indol-3-yl)-N-[(2-morpholin-4-yl-3-pyridinyl)methyl]acetamide
CID 25479539
N-[(2-fluorophenyl)methyl]-2-(1H-indol-3-yl)acetamide
CID 3562962
N-[[3-(dimethylamino)phenyl]methyl]-2-(1H-indol-3-yl)acetamide
CID 47088608
7-amino-N-[[2-(dimethylamino)-3-pyridinyl]methyl]heptanamide
CID 119850321
4-amino-N-[[2-(dimethylamino)-3-pyridinyl]methyl]butanamide
CID 119850383
N-[(2-ethoxy-3-pyridinyl)methyl]-3-(1H-indol-3-yl)propanamide
CID 38537408
N-[2-[ethyl(methyl)amino]-2-oxoethyl]-2-(1H-indol-3-yl)acetamide
CID 104920242
N-[(2S)-2-hydroxypropyl]-2-(1H-indol-3-yl)acetamide
CID 39248120
2-(2-chlorophenyl)-N-(1H-indol-3-ylmethyl)acetamide
CID 110673257

Frequently Asked Questions

What is the IUPAC name of N-[[2-(dimethylamino)-3-pyridinyl]methyl]-2-(1H-indol-3-yl)acetamide?
The IUPAC name of N-[[2-(dimethylamino)-3-pyridinyl]methyl]-2-(1H-indol-3-yl)acetamide (CID 46463836) is N-[[2-(dimethylamino)-3-pyridinyl]methyl]-2-(1H-indol-3-yl)acetamide.
What is the SMILES notation for N-[[2-(dimethylamino)-3-pyridinyl]methyl]-2-(1H-indol-3-yl)acetamide?
The canonical SMILES for N-[[2-(dimethylamino)-3-pyridinyl]methyl]-2-(1H-indol-3-yl)acetamide is CN(C)c1ncccc1CNC(=O)Cc1c[nH]c2ccccc12.
What is the InChIKey of N-[[2-(dimethylamino)-3-pyridinyl]methyl]-2-(1H-indol-3-yl)acetamide?
The InChIKey is DTYPVDZWYYTTAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O/c1-22(2)18-13(6-5-9-19-18)11-21-17(23)10-14-12-20-16-8-4-3-7-15(14)16/h3-9,12,20H,10-11H2,1-2H3,(H,21,23).
What are the key properties of N-[[2-(dimethylamino)-3-pyridinyl]methyl]-2-(1H-indol-3-yl)acetamide?
N-[[2-(dimethylamino)-3-pyridinyl]methyl]-2-(1H-indol-3-yl)acetamide has a molecular weight of 308.39 g/mol, XLogP of 2.49, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(dimethylamino)-3-pyridinyl]methyl]-2-(1H-indol-3-yl)acetamide is sourced from PubChem (CID 46463836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).