N-[(4-methoxy-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)methyl]-2-(1-methylindol-3-yl)acetamide

C20H24N6O2 — CID 122253292

IUPACN-[(4-methoxy-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)methyl]-2-(1-methylindol-3-yl)acetamide
SMILESCOc1nc(CNC(=O)Cc2cn(C)c3ccccc23)nc(N2CCCC2)n1
InChIInChI=1S/C20H24N6O2/c1-25-13-14(15-7-3-4-8-16(15)25)11-18(27)21-12-17-22-19(24-20(23-17)28-2)26-9-5-6-10-26/h3-4,7-8,13H,5-6,9-12H2,1-2H3,(H,21,27)
InChIKeyWEVOFYYXUCDEIP-UHFFFAOYSA-N
MW380.45 g/mol
LogP1.83
Rot. Bonds6

About N-[(4-methoxy-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)methyl]-2-(1-methylindol-3-yl)acetamide

N-[(4-methoxy-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)methyl]-2-(1-methylindol-3-yl)acetamide (PubChem CID 122253292) has the molecular formula C20H24N6O2 and a molecular weight of 380.45 g/mol. Its IUPAC name is N-[(4-methoxy-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)methyl]-2-(1-methylindol-3-yl)acetamide.

Molecular Properties

Compound NameN-[(4-methoxy-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)methyl]-2-(1-methylindol-3-yl)acetamide
PubChem CID122253292
Molecular FormulaC20H24N6O2
Molecular Weight380.45 g/mol
Exact Mass380.20
IUPAC NameN-[(4-methoxy-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)methyl]-2-(1-methylindol-3-yl)acetamide
SMILESCOc1nc(CNC(=O)Cc2cn(C)c3ccccc23)nc(N2CCCC2)n1
InChIInChI=1S/C20H24N6O2/c1-25-13-14(15-7-3-4-8-16(15)25)11-18(27)21-12-17-22-19(24-20(23-17)28-2)26-9-5-6-10-26/h3-4,7-8,13H,5-6,9-12H2,1-2H3,(H,21,27)
InChIKeyWEVOFYYXUCDEIP-UHFFFAOYSA-N
XLogP1.83
TPSA85.17 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.45
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-(1,2-benzoxazol-3-yl)-N-[(4-methoxy-6-piperidin-1-yl-1,3,5-triazin-2-yl)methyl]acetamide
CID 122253589
N-[(4-methoxy-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)methyl]-3-phenylpropanamide
CID 119099625
N-[(4-methoxy-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)methyl]quinoxaline-2-carboxamide
CID 122253252
N-[(4-methoxy-6-piperidin-1-yl-1,3,5-triazin-2-yl)methyl]-2-pyrimidin-2-yloxyacetamide
CID 122253435
N-[(4-methoxy-6-piperidin-1-yl-1,3,5-triazin-2-yl)methyl]-2-(4-oxoquinazolin-3-yl)acetamide
CID 122253592
N-[(4-methoxy-6-piperidin-1-yl-1,3,5-triazin-2-yl)methyl]-2-(6-oxopyridazin-1-yl)acetamide
CID 122253596
1-[(4-methoxy-6-piperidin-1-yl-1,3,5-triazin-2-yl)methyl]-3-(2-methylphenyl)urea
CID 122253456
3-chloro-N-[(4-methoxy-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)methyl]benzamide
CID 122253118
3-fluoro-N-[(4-methoxy-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)methyl]benzamide
CID 122253116
5-acetyl-N-[(4-methoxy-6-piperidin-1-yl-1,3,5-triazin-2-yl)methyl]thiophene-2-carboxamide
CID 122253584
N-[(4-methoxy-6-piperidin-1-yl-1,3,5-triazin-2-yl)methyl]furan-3-carboxamide
CID 122253553
N-[(4-methoxy-6-piperidin-1-yl-1,3,5-triazin-2-yl)methyl]-1-methyl-6-oxopyridazine-3-carboxamide
CID 122253515

Frequently Asked Questions

What is the IUPAC name of N-[(4-methoxy-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)methyl]-2-(1-methylindol-3-yl)acetamide?
The IUPAC name of N-[(4-methoxy-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)methyl]-2-(1-methylindol-3-yl)acetamide (CID 122253292) is N-[(4-methoxy-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)methyl]-2-(1-methylindol-3-yl)acetamide.
What is the SMILES notation for N-[(4-methoxy-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)methyl]-2-(1-methylindol-3-yl)acetamide?
The canonical SMILES for N-[(4-methoxy-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)methyl]-2-(1-methylindol-3-yl)acetamide is COc1nc(CNC(=O)Cc2cn(C)c3ccccc23)nc(N2CCCC2)n1.
What is the InChIKey of N-[(4-methoxy-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)methyl]-2-(1-methylindol-3-yl)acetamide?
The InChIKey is WEVOFYYXUCDEIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N6O2/c1-25-13-14(15-7-3-4-8-16(15)25)11-18(27)21-12-17-22-19(24-20(23-17)28-2)26-9-5-6-10-26/h3-4,7-8,13H,5-6,9-12H2,1-2H3,(H,21,27).
What are the key properties of N-[(4-methoxy-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)methyl]-2-(1-methylindol-3-yl)acetamide?
N-[(4-methoxy-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)methyl]-2-(1-methylindol-3-yl)acetamide has a molecular weight of 380.45 g/mol, XLogP of 1.83, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methoxy-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)methyl]-2-(1-methylindol-3-yl)acetamide is sourced from PubChem (CID 122253292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).