N-[3-(methylamino)-3-oxopropyl]-1H-indole-5-carboxamide

C13H15N3O2 — CID 63718286

IUPACN-[3-(methylamino)-3-oxopropyl]-1H-indole-5-carboxamide
SMILESCNC(=O)CCNC(=O)c1ccc2[nH]ccc2c1
InChIInChI=1S/C13H15N3O2/c1-14-12(17)5-7-16-13(18)10-2-3-11-9(8-10)4-6-15-11/h2-4,6,8,15H,5,7H2,1H3,(H,14,17)(H,16,18)
InChIKeyFZJDAWDYSZZMDU-UHFFFAOYSA-N
MW245.28 g/mol
LogP1.03
Rot. Bonds4

About N-[3-(methylamino)-3-oxopropyl]-1H-indole-5-carboxamide

N-[3-(methylamino)-3-oxopropyl]-1H-indole-5-carboxamide (PubChem CID 63718286) has the molecular formula C13H15N3O2 and a molecular weight of 245.28 g/mol. Its IUPAC name is N-[3-(methylamino)-3-oxopropyl]-1H-indole-5-carboxamide.

Molecular Properties

Compound NameN-[3-(methylamino)-3-oxopropyl]-1H-indole-5-carboxamide
PubChem CID63718286
Molecular FormulaC13H15N3O2
Molecular Weight245.28 g/mol
Exact Mass245.12
IUPAC NameN-[3-(methylamino)-3-oxopropyl]-1H-indole-5-carboxamide
SMILESCNC(=O)CCNC(=O)c1ccc2[nH]ccc2c1
InChIInChI=1S/C13H15N3O2/c1-14-12(17)5-7-16-13(18)10-2-3-11-9(8-10)4-6-15-11/h2-4,6,8,15H,5,7H2,1H3,(H,14,17)(H,16,18)
InChIKeyFZJDAWDYSZZMDU-UHFFFAOYSA-N
XLogP1.03
TPSA73.99 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.28
LogP ≤ 51.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

methyl 3-(1H-indole-5-carbonylamino)propanoate
CID 63718794
N-[3-(methylamino)propyl]-1H-indole-5-carboxamide
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CID 103896359
N-[2-(dimethylcarbamoylamino)ethyl]-1H-indole-5-carboxamide
CID 83114551
N-(6-hydroxyhexyl)-1H-indole-5-carboxamide
CID 103918779
N-[3-(methylamino)-3-oxopropyl]naphthalene-2-carboxamide
CID 47161001
N-prop-2-ynyl-1H-indole-5-carboxamide
CID 63717307
N-(3-methylsulfinylpropyl)-1H-indole-5-carboxamide
CID 115621267
N-(2-amino-2-methylpropyl)-1H-indole-5-carboxamide
CID 113282701
N-(3-butoxypropyl)-1H-indole-5-carboxamide
CID 115618115
N-(2-piperazin-1-ylethyl)-1H-indole-5-carboxamide
CID 63747724
N-[3-(2-methylpropoxy)propyl]-1H-indole-5-carboxamide
CID 63718064

Frequently Asked Questions

What is the IUPAC name of N-[3-(methylamino)-3-oxopropyl]-1H-indole-5-carboxamide?
The IUPAC name of N-[3-(methylamino)-3-oxopropyl]-1H-indole-5-carboxamide (CID 63718286) is N-[3-(methylamino)-3-oxopropyl]-1H-indole-5-carboxamide.
What is the SMILES notation for N-[3-(methylamino)-3-oxopropyl]-1H-indole-5-carboxamide?
The canonical SMILES for N-[3-(methylamino)-3-oxopropyl]-1H-indole-5-carboxamide is CNC(=O)CCNC(=O)c1ccc2[nH]ccc2c1.
What is the InChIKey of N-[3-(methylamino)-3-oxopropyl]-1H-indole-5-carboxamide?
The InChIKey is FZJDAWDYSZZMDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O2/c1-14-12(17)5-7-16-13(18)10-2-3-11-9(8-10)4-6-15-11/h2-4,6,8,15H,5,7H2,1H3,(H,14,17)(H,16,18).
What are the key properties of N-[3-(methylamino)-3-oxopropyl]-1H-indole-5-carboxamide?
N-[3-(methylamino)-3-oxopropyl]-1H-indole-5-carboxamide has a molecular weight of 245.28 g/mol, XLogP of 1.03, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(methylamino)-3-oxopropyl]-1H-indole-5-carboxamide is sourced from PubChem (CID 63718286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).