3-(5-methylpyrido[4,3-b]indol-7-yl)-N-prop-1-en-2-ylpropanamide

C18H19N3O — CID 137418675

IUPAC3-(5-methylpyrido[4,3-b]indol-7-yl)-N-prop-1-en-2-ylpropanamide
SMILESC=C(C)NC(=O)CCc1ccc2c3cnccc3n(C)c2c1
InChIInChI=1S/C18H19N3O/c1-12(2)20-18(22)7-5-13-4-6-14-15-11-19-9-8-16(15)21(3)17(14)10-13/h4,6,8-11H,1,5,7H2,2-3H3,(H,20,22)
InChIKeyQUWCBMBBWSJVDZ-UHFFFAOYSA-N
MW293.37 g/mol
LogP3.31
Rot. Bonds4

About 3-(5-methylpyrido[4,3-b]indol-7-yl)-N-prop-1-en-2-ylpropanamide

3-(5-methylpyrido[4,3-b]indol-7-yl)-N-prop-1-en-2-ylpropanamide (PubChem CID 137418675) has the molecular formula C18H19N3O and a molecular weight of 293.37 g/mol. Its IUPAC name is 3-(5-methylpyrido[4,3-b]indol-7-yl)-N-prop-1-en-2-ylpropanamide.

Molecular Properties

Compound Name3-(5-methylpyrido[4,3-b]indol-7-yl)-N-prop-1-en-2-ylpropanamide
PubChem CID137418675
Molecular FormulaC18H19N3O
Molecular Weight293.37 g/mol
Exact Mass293.15
IUPAC Name3-(5-methylpyrido[4,3-b]indol-7-yl)-N-prop-1-en-2-ylpropanamide
SMILESC=C(C)NC(=O)CCc1ccc2c3cnccc3n(C)c2c1
InChIInChI=1S/C18H19N3O/c1-12(2)20-18(22)7-5-13-4-6-14-15-11-19-9-8-16(15)21(3)17(14)10-13/h4,6,8-11H,1,5,7H2,2-3H3,(H,20,22)
InChIKeyQUWCBMBBWSJVDZ-UHFFFAOYSA-N
XLogP3.31
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-3-(5-methylpyrido[4,3-b]indol-7-yl)propanamide;molecular hydrogen
CID 142517138
4-(5-methylpyrido[4,3-b]indol-8-yl)butan-2-one
CID 116985988
(5-methylpyrido[4,3-b]indol-7-yl)methanol
CID 116986177
N-[(5-methylpyrido[4,3-b]indol-7-yl)methyl]cyclopropanamine
CID 116986165
2-(5-methylpyrido[4,3-b]indol-8-yl)acetic acid
CID 116985962
5-methyl-7-phenylpyrido[4,3-b]indole
CID 155583386
2-methyl-2-(5-methylpyrido[4,3-b]indol-7-yl)propanenitrile
CID 116986204
(5-methylpyrido[4,3-b]indol-8-yl)hydrazine
CID 116986023
11-iodo-8-methyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene
CID 144891245
5-methyl-7-piperidin-2-ylpyrido[4,3-b]indole
CID 116986169
2-(5-methylpyrido[4,3-b]indol-8-yl)propan-2-ol
CID 116985992
tert-butyl N-[3-[4-(5-methylpyrido[4,3-b]indol-7-yl)phenoxy]cyclobutyl]carbamate
CID 165371294

Frequently Asked Questions

What is the IUPAC name of 3-(5-methylpyrido[4,3-b]indol-7-yl)-N-prop-1-en-2-ylpropanamide?
The IUPAC name of 3-(5-methylpyrido[4,3-b]indol-7-yl)-N-prop-1-en-2-ylpropanamide (CID 137418675) is 3-(5-methylpyrido[4,3-b]indol-7-yl)-N-prop-1-en-2-ylpropanamide.
What is the SMILES notation for 3-(5-methylpyrido[4,3-b]indol-7-yl)-N-prop-1-en-2-ylpropanamide?
The canonical SMILES for 3-(5-methylpyrido[4,3-b]indol-7-yl)-N-prop-1-en-2-ylpropanamide is C=C(C)NC(=O)CCc1ccc2c3cnccc3n(C)c2c1.
What is the InChIKey of 3-(5-methylpyrido[4,3-b]indol-7-yl)-N-prop-1-en-2-ylpropanamide?
The InChIKey is QUWCBMBBWSJVDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O/c1-12(2)20-18(22)7-5-13-4-6-14-15-11-19-9-8-16(15)21(3)17(14)10-13/h4,6,8-11H,1,5,7H2,2-3H3,(H,20,22).
What are the key properties of 3-(5-methylpyrido[4,3-b]indol-7-yl)-N-prop-1-en-2-ylpropanamide?
3-(5-methylpyrido[4,3-b]indol-7-yl)-N-prop-1-en-2-ylpropanamide has a molecular weight of 293.37 g/mol, XLogP of 3.31, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-methylpyrido[4,3-b]indol-7-yl)-N-prop-1-en-2-ylpropanamide is sourced from PubChem (CID 137418675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).