4-N-[1-(1H-indol-3-yl)ethyl]pyridine-3,4-diamine

C15H16N4 — CID 23619530

IUPAC4-N-[1-(1H-indol-3-yl)ethyl]pyridine-3,4-diamine
SMILESCC(Nc1ccncc1N)c1c[nH]c2ccccc12
InChIInChI=1S/C15H16N4/c1-10(19-15-6-7-17-9-13(15)16)12-8-18-14-5-3-2-4-11(12)14/h2-10,18H,16H2,1H3,(H,17,19)
InChIKeyCPNSQDCSLWIUJK-UHFFFAOYSA-N
MW252.32 g/mol
LogP3.32
Rot. Bonds3

About 4-N-[1-(1H-indol-3-yl)ethyl]pyridine-3,4-diamine

4-N-[1-(1H-indol-3-yl)ethyl]pyridine-3,4-diamine (PubChem CID 23619530) has the molecular formula C15H16N4 and a molecular weight of 252.32 g/mol. Its IUPAC name is 4-N-[1-(1H-indol-3-yl)ethyl]pyridine-3,4-diamine.

Molecular Properties

Compound Name4-N-[1-(1H-indol-3-yl)ethyl]pyridine-3,4-diamine
PubChem CID23619530
Molecular FormulaC15H16N4
Molecular Weight252.32 g/mol
Exact Mass252.14
IUPAC Name4-N-[1-(1H-indol-3-yl)ethyl]pyridine-3,4-diamine
SMILESCC(Nc1ccncc1N)c1c[nH]c2ccccc12
InChIInChI=1S/C15H16N4/c1-10(19-15-6-7-17-9-13(15)16)12-8-18-14-5-3-2-4-11(12)14/h2-10,18H,16H2,1H3,(H,17,19)
InChIKeyCPNSQDCSLWIUJK-UHFFFAOYSA-N
XLogP3.32
TPSA66.73 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.32
LogP ≤ 53.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-N-[1-(2-fluorophenyl)ethyl]pyridine-3,4-diamine
CID 54964707
4-N-[1-(4-fluorophenyl)ethyl]pyridine-3,4-diamine
CID 54965311
3-propan-2-yl-1H-indole
CID 12534824
4-N-(5-methylhexan-2-yl)pyridine-3,4-diamine
CID 63926910
4-N-[1-(3-chlorophenyl)ethyl]pyridine-3,4-diamine
CID 54964841
4-N-(3,3-dimethylbutan-2-yl)pyridine-3,4-diamine
CID 104827419
N-[3-(1H-indol-3-yl)butyl]pyridin-3-amine
CID 118535460
2-[(1R)-1-[2-(1H-indol-3-yl)ethylamino]ethyl]aniline
CID 97181242
4-N-[1-(5-chlorothiophen-2-yl)ethyl]pyridine-3,4-diamine
CID 61469011
1-chloro-1-(1H-indol-3-yl)-N-methylmethanamine
CID 116962085
2-(1H-indol-3-yl)propan-1-amine
CID 6452095
1-(1H-indol-3-yl)-2-pyridin-3-ylethanamine
CID 130286276

Frequently Asked Questions

What is the IUPAC name of 4-N-[1-(1H-indol-3-yl)ethyl]pyridine-3,4-diamine?
The IUPAC name of 4-N-[1-(1H-indol-3-yl)ethyl]pyridine-3,4-diamine (CID 23619530) is 4-N-[1-(1H-indol-3-yl)ethyl]pyridine-3,4-diamine.
What is the SMILES notation for 4-N-[1-(1H-indol-3-yl)ethyl]pyridine-3,4-diamine?
The canonical SMILES for 4-N-[1-(1H-indol-3-yl)ethyl]pyridine-3,4-diamine is CC(Nc1ccncc1N)c1c[nH]c2ccccc12.
What is the InChIKey of 4-N-[1-(1H-indol-3-yl)ethyl]pyridine-3,4-diamine?
The InChIKey is CPNSQDCSLWIUJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4/c1-10(19-15-6-7-17-9-13(15)16)12-8-18-14-5-3-2-4-11(12)14/h2-10,18H,16H2,1H3,(H,17,19).
What are the key properties of 4-N-[1-(1H-indol-3-yl)ethyl]pyridine-3,4-diamine?
4-N-[1-(1H-indol-3-yl)ethyl]pyridine-3,4-diamine has a molecular weight of 252.32 g/mol, XLogP of 3.32, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[1-(1H-indol-3-yl)ethyl]pyridine-3,4-diamine is sourced from PubChem (CID 23619530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).