1-ethyl-1-pyridin-3-ylpyrido[4,3-b]indole

C18H15N3 — CID 87574092

IUPAC1-ethyl-1-pyridin-3-ylpyrido[4,3-b]indole
SMILESCCC1(c2cccnc2)N=CC=C2N=c3ccccc3=C21
InChIInChI=1S/C18H15N3/c1-2-18(13-6-5-10-19-12-13)17-14-7-3-4-8-15(14)21-16(17)9-11-20-18/h3-12H,2H2,1H3
InChIKeyPBZNMWOOVRUOIU-UHFFFAOYSA-N
MW273.34 g/mol
LogP2.14
Rot. Bonds2

About 1-ethyl-1-pyridin-3-ylpyrido[4,3-b]indole

1-ethyl-1-pyridin-3-ylpyrido[4,3-b]indole (PubChem CID 87574092) has the molecular formula C18H15N3 and a molecular weight of 273.34 g/mol. Its IUPAC name is 1-ethyl-1-pyridin-3-ylpyrido[4,3-b]indole.

Molecular Properties

Compound Name1-ethyl-1-pyridin-3-ylpyrido[4,3-b]indole
PubChem CID87574092
Molecular FormulaC18H15N3
Molecular Weight273.34 g/mol
Exact Mass273.13
IUPAC Name1-ethyl-1-pyridin-3-ylpyrido[4,3-b]indole
SMILESCCC1(c2cccnc2)N=CC=C2N=c3ccccc3=C21
InChIInChI=1S/C18H15N3/c1-2-18(13-6-5-10-19-12-13)17-14-7-3-4-8-15(14)21-16(17)9-11-20-18/h3-12H,2H2,1H3
InChIKeyPBZNMWOOVRUOIU-UHFFFAOYSA-N
XLogP2.14
TPSA37.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 52.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1,1-dimethylpyrido[4,3-b]indole
CID 141391468
4-ethyl-4-pyridin-3-yl-1,3-oxazolidin-2-one
CID 67719324
3-(1-chloro-2,2,3,3-tetramethylcyclopropyl)pyridine
CID 13486942
3-(1-ethyl-2-methylpyrrolidin-2-yl)pyridine
CID 176918775
3-[(2S)-5-ethyl-2-methyl-4-phenyl-2,3-dihydropyrrol-1-ium-4-yl]pyridine
CID 58894360
N-methyl-1-(1-pyridin-3-ylcyclobutyl)methanamine
CID 80522291
2-iodo-2-pyridin-3-yl-1H-pyrimidine
CID 90357523
2-methyl-1-pyridin-3-ylcyclopentan-1-ol
CID 65049879
2-methyl-N-[(1-pyridin-3-ylcyclohexyl)methyl]propan-1-amine
CID 80522632
(2,2-dimethyl-1-pyridin-3-ylcyclopropyl)methanamine
CID 83481940
ethane;3-(1-methylcyclobutyl)pyridine
CID 142353863
3-ethylpyridine
CID 10823

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-1-pyridin-3-ylpyrido[4,3-b]indole?
The IUPAC name of 1-ethyl-1-pyridin-3-ylpyrido[4,3-b]indole (CID 87574092) is 1-ethyl-1-pyridin-3-ylpyrido[4,3-b]indole.
What is the SMILES notation for 1-ethyl-1-pyridin-3-ylpyrido[4,3-b]indole?
The canonical SMILES for 1-ethyl-1-pyridin-3-ylpyrido[4,3-b]indole is CCC1(c2cccnc2)N=CC=C2N=c3ccccc3=C21.
What is the InChIKey of 1-ethyl-1-pyridin-3-ylpyrido[4,3-b]indole?
The InChIKey is PBZNMWOOVRUOIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N3/c1-2-18(13-6-5-10-19-12-13)17-14-7-3-4-8-15(14)21-16(17)9-11-20-18/h3-12H,2H2,1H3.
What are the key properties of 1-ethyl-1-pyridin-3-ylpyrido[4,3-b]indole?
1-ethyl-1-pyridin-3-ylpyrido[4,3-b]indole has a molecular weight of 273.34 g/mol, XLogP of 2.14, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-1-pyridin-3-ylpyrido[4,3-b]indole is sourced from PubChem (CID 87574092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).