N-[3-(1H-indol-3-yl)butyl]pyridin-3-amine

C17H19N3 — CID 118535460

IUPACN-[3-(1H-indol-3-yl)butyl]pyridin-3-amine
SMILESCC(CCNc1cccnc1)c1c[nH]c2ccccc12
InChIInChI=1S/C17H19N3/c1-13(8-10-19-14-5-4-9-18-11-14)16-12-20-17-7-3-2-6-15(16)17/h2-7,9,11-13,19-20H,8,10H2,1H3
InChIKeyKTAKECWECMBTIC-UHFFFAOYSA-N
MW265.36 g/mol
LogP4.17
Rot. Bonds5

About N-[3-(1H-indol-3-yl)butyl]pyridin-3-amine

N-[3-(1H-indol-3-yl)butyl]pyridin-3-amine (PubChem CID 118535460) has the molecular formula C17H19N3 and a molecular weight of 265.36 g/mol. Its IUPAC name is N-[3-(1H-indol-3-yl)butyl]pyridin-3-amine.

Molecular Properties

Compound NameN-[3-(1H-indol-3-yl)butyl]pyridin-3-amine
PubChem CID118535460
Molecular FormulaC17H19N3
Molecular Weight265.36 g/mol
Exact Mass265.16
IUPAC NameN-[3-(1H-indol-3-yl)butyl]pyridin-3-amine
SMILESCC(CCNc1cccnc1)c1c[nH]c2ccccc12
InChIInChI=1S/C17H19N3/c1-13(8-10-19-14-5-4-9-18-11-14)16-12-20-17-7-3-2-6-15(16)17/h2-7,9,11-13,19-20H,8,10H2,1H3
InChIKeyKTAKECWECMBTIC-UHFFFAOYSA-N
XLogP4.17
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 54.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(3R)-3-(1H-indol-3-yl)butan-1-ol
CID 93483686
2-(1H-indol-3-yl)propan-1-amine
CID 6452095
1-(1H-indol-3-yl)-2-pyridin-3-ylethanamine
CID 130286276
2-(1H-indol-3-yl)propan-1-amine;hydrochloride
CID 11970278
3-propan-2-yl-1H-indole
CID 12534824
(3R)-3-(1H-indol-3-yl)-N,4-dimethylpentan-1-amine
CID 124566723
4-N-[1-(1H-indol-3-yl)ethyl]pyridine-3,4-diamine
CID 23619530
(1S)-N-(1H-indol-3-ylmethyl)-1-pyridin-3-ylethanamine
CID 81407385
N-pyridin-3-yl-1H-indole-3-carboxamide
CID 43399328
1-N-(1H-indol-3-yl)butane-1,3-diamine
CID 115199018
N-benzyl-2-(1H-indol-3-yl)propan-1-amine
CID 132526366
3-(4-piperazin-1-ylbutan-2-yl)-1H-indole
CID 82300146

Frequently Asked Questions

What is the IUPAC name of N-[3-(1H-indol-3-yl)butyl]pyridin-3-amine?
The IUPAC name of N-[3-(1H-indol-3-yl)butyl]pyridin-3-amine (CID 118535460) is N-[3-(1H-indol-3-yl)butyl]pyridin-3-amine.
What is the SMILES notation for N-[3-(1H-indol-3-yl)butyl]pyridin-3-amine?
The canonical SMILES for N-[3-(1H-indol-3-yl)butyl]pyridin-3-amine is CC(CCNc1cccnc1)c1c[nH]c2ccccc12.
What is the InChIKey of N-[3-(1H-indol-3-yl)butyl]pyridin-3-amine?
The InChIKey is KTAKECWECMBTIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3/c1-13(8-10-19-14-5-4-9-18-11-14)16-12-20-17-7-3-2-6-15(16)17/h2-7,9,11-13,19-20H,8,10H2,1H3.
What are the key properties of N-[3-(1H-indol-3-yl)butyl]pyridin-3-amine?
N-[3-(1H-indol-3-yl)butyl]pyridin-3-amine has a molecular weight of 265.36 g/mol, XLogP of 4.17, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(1H-indol-3-yl)butyl]pyridin-3-amine is sourced from PubChem (CID 118535460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).