N-ethyl-3-(5-methylpyrido[4,3-b]indol-7-yl)propanamide;molecular hydrogen

C17H21N3O — CID 142517138

IUPACN-ethyl-3-(5-methylpyrido[4,3-b]indol-7-yl)propanamide;molecular hydrogen
SMILESCCNC(=O)CCc1ccc2c3cnccc3n(C)c2c1.[H][H]
InChIInChI=1S/C17H19N3O.H2/c1-3-19-17(21)7-5-12-4-6-13-14-11-18-9-8-15(14)20(2)16(13)10-12;/h4,6,8-11H,3,5,7H2,1-2H3,(H,19,21);1H
InChIKeyLOCKIUXLRVAQIH-UHFFFAOYSA-N
MW283.38 g/mol
LogP3.04
Rot. Bonds4

About N-ethyl-3-(5-methylpyrido[4,3-b]indol-7-yl)propanamide;molecular hydrogen

N-ethyl-3-(5-methylpyrido[4,3-b]indol-7-yl)propanamide;molecular hydrogen (PubChem CID 142517138) has the molecular formula C17H21N3O and a molecular weight of 283.38 g/mol. Its IUPAC name is N-ethyl-3-(5-methylpyrido[4,3-b]indol-7-yl)propanamide;molecular hydrogen.

Molecular Properties

Compound NameN-ethyl-3-(5-methylpyrido[4,3-b]indol-7-yl)propanamide;molecular hydrogen
PubChem CID142517138
Molecular FormulaC17H21N3O
Molecular Weight283.38 g/mol
Exact Mass283.17
IUPAC NameN-ethyl-3-(5-methylpyrido[4,3-b]indol-7-yl)propanamide;molecular hydrogen
SMILESCCNC(=O)CCc1ccc2c3cnccc3n(C)c2c1.[H][H]
InChIInChI=1S/C17H19N3O.H2/c1-3-19-17(21)7-5-12-4-6-13-14-11-18-9-8-15(14)20(2)16(13)10-12;/h4,6,8-11H,3,5,7H2,1-2H3,(H,19,21);1H
InChIKeyLOCKIUXLRVAQIH-UHFFFAOYSA-N
XLogP3.04
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.38
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(5-methylpyrido[4,3-b]indol-7-yl)-N-prop-1-en-2-ylpropanamide
CID 137418675
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
3-(3,4-diethoxyphenyl)-N-(pyridin-3-ylmethyl)propanamide
CID 38019578
N-ethyl-3-(2-pyrrolidin-1-yl-4-pyridinyl)propanamide
CID 83273482
4-[3-(ethylamino)-3-oxopropyl]benzoic acid
CID 83796764
3-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-ethylpropanamide
CID 53288864
3-(3,4-dimethylphenyl)-N-(3-pyridin-3-ylpropyl)propanamide
CID 91761122
3-(3-bromophenyl)-N-(pyridin-3-ylmethyl)propanamide
CID 127122248
3-(3-amino-4-methoxyphenyl)-N-ethylpropanamide
CID 39245446

Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-(5-methylpyrido[4,3-b]indol-7-yl)propanamide;molecular hydrogen?
The IUPAC name of N-ethyl-3-(5-methylpyrido[4,3-b]indol-7-yl)propanamide;molecular hydrogen (CID 142517138) is N-ethyl-3-(5-methylpyrido[4,3-b]indol-7-yl)propanamide;molecular hydrogen.
What is the SMILES notation for N-ethyl-3-(5-methylpyrido[4,3-b]indol-7-yl)propanamide;molecular hydrogen?
The canonical SMILES for N-ethyl-3-(5-methylpyrido[4,3-b]indol-7-yl)propanamide;molecular hydrogen is CCNC(=O)CCc1ccc2c3cnccc3n(C)c2c1.[H][H].
What is the InChIKey of N-ethyl-3-(5-methylpyrido[4,3-b]indol-7-yl)propanamide;molecular hydrogen?
The InChIKey is LOCKIUXLRVAQIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O.H2/c1-3-19-17(21)7-5-12-4-6-13-14-11-18-9-8-15(14)20(2)16(13)10-12;/h4,6,8-11H,3,5,7H2,1-2H3,(H,19,21);1H.
What are the key properties of N-ethyl-3-(5-methylpyrido[4,3-b]indol-7-yl)propanamide;molecular hydrogen?
N-ethyl-3-(5-methylpyrido[4,3-b]indol-7-yl)propanamide;molecular hydrogen has a molecular weight of 283.38 g/mol, XLogP of 3.04, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-(5-methylpyrido[4,3-b]indol-7-yl)propanamide;molecular hydrogen is sourced from PubChem (CID 142517138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).