N-(1-methylindol-6-yl)-2-(2-oxo-1,3-diazinan-1-yl)acetamide

C15H18N4O2 — CID 136526633

IUPACN-(1-methylindol-6-yl)-2-(2-oxo-1,3-diazinan-1-yl)acetamide
SMILESCn1ccc2ccc(NC(=O)CN3CCCNC3=O)cc21
InChIInChI=1S/C15H18N4O2/c1-18-8-5-11-3-4-12(9-13(11)18)17-14(20)10-19-7-2-6-16-15(19)21/h3-5,8-9H,2,6-7,10H2,1H3,(H,16,21)(H,17,20)
InChIKeyNZFDZQGWVNQKPW-UHFFFAOYSA-N
MW286.33 g/mol
LogP1.53
Rot. Bonds3

About N-(1-methylindol-6-yl)-2-(2-oxo-1,3-diazinan-1-yl)acetamide

N-(1-methylindol-6-yl)-2-(2-oxo-1,3-diazinan-1-yl)acetamide (PubChem CID 136526633) has the molecular formula C15H18N4O2 and a molecular weight of 286.33 g/mol. Its IUPAC name is N-(1-methylindol-6-yl)-2-(2-oxo-1,3-diazinan-1-yl)acetamide.

Molecular Properties

Compound NameN-(1-methylindol-6-yl)-2-(2-oxo-1,3-diazinan-1-yl)acetamide
PubChem CID136526633
Molecular FormulaC15H18N4O2
Molecular Weight286.33 g/mol
Exact Mass286.14
IUPAC NameN-(1-methylindol-6-yl)-2-(2-oxo-1,3-diazinan-1-yl)acetamide
SMILESCn1ccc2ccc(NC(=O)CN3CCCNC3=O)cc21
InChIInChI=1S/C15H18N4O2/c1-18-8-5-11-3-4-12(9-13(11)18)17-14(20)10-19-7-2-6-16-15(19)21/h3-5,8-9H,2,6-7,10H2,1H3,(H,16,21)(H,17,20)
InChIKeyNZFDZQGWVNQKPW-UHFFFAOYSA-N
XLogP1.53
TPSA66.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 51.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-oxo-1,3-diazinan-1-yl)-N-(1-propylindol-5-yl)acetamide
CID 71934971
methyl 5-[(1-methylindol-6-yl)amino]-5-oxopentanoate
CID 75485035
N-(1-methylindol-6-yl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carboxamide
CID 122143234
(3R)-N-(1-methylindol-6-yl)-3-(pyrrolidin-1-ylmethyl)pyrrolidine-1-carboxamide
CID 99820655
N-(1-methylindol-6-yl)-2-(4-methylphenyl)-3-oxo-1H-pyrazole-5-carboxamide
CID 71866929
2-[(4R)-2,5-dioxo-1-(2-phenylethyl)imidazolidin-4-yl]-N-(1-methylindol-6-yl)acetamide
CID 99871318
N-[1-[2-(dimethylamino)ethyl]indol-6-yl]-2-(1-hydroxycyclopentyl)acetamide
CID 111539901
3-methyl-1-[(1-methylindol-6-yl)carbamoyl]pyrrolidine-3-carboxylic acid
CID 122091024
N-(3-hydroxybutyl)-N'-(1-methylindol-6-yl)oxamide
CID 111490510
N-(3-hydroxy-2-methylpropyl)-N'-(1-methylindol-6-yl)oxamide
CID 111490459
1-[(3aR,7aS)-2-oxo-3,4,5,6,7,7a-hexahydro-1H-indol-3a-yl]-3-(1-methylindol-6-yl)urea
CID 136585512
N-[(1-methylindol-6-yl)amino]formamide
CID 174642732

Frequently Asked Questions

What is the IUPAC name of N-(1-methylindol-6-yl)-2-(2-oxo-1,3-diazinan-1-yl)acetamide?
The IUPAC name of N-(1-methylindol-6-yl)-2-(2-oxo-1,3-diazinan-1-yl)acetamide (CID 136526633) is N-(1-methylindol-6-yl)-2-(2-oxo-1,3-diazinan-1-yl)acetamide.
What is the SMILES notation for N-(1-methylindol-6-yl)-2-(2-oxo-1,3-diazinan-1-yl)acetamide?
The canonical SMILES for N-(1-methylindol-6-yl)-2-(2-oxo-1,3-diazinan-1-yl)acetamide is Cn1ccc2ccc(NC(=O)CN3CCCNC3=O)cc21.
What is the InChIKey of N-(1-methylindol-6-yl)-2-(2-oxo-1,3-diazinan-1-yl)acetamide?
The InChIKey is NZFDZQGWVNQKPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O2/c1-18-8-5-11-3-4-12(9-13(11)18)17-14(20)10-19-7-2-6-16-15(19)21/h3-5,8-9H,2,6-7,10H2,1H3,(H,16,21)(H,17,20).
What are the key properties of N-(1-methylindol-6-yl)-2-(2-oxo-1,3-diazinan-1-yl)acetamide?
N-(1-methylindol-6-yl)-2-(2-oxo-1,3-diazinan-1-yl)acetamide has a molecular weight of 286.33 g/mol, XLogP of 1.53, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-methylindol-6-yl)-2-(2-oxo-1,3-diazinan-1-yl)acetamide is sourced from PubChem (CID 136526633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).