5-(aminomethyl)-N-[2-(1H-indol-3-yl)ethyl]pyridin-2-amine

C16H18N4 — CID 95471746

IUPAC5-(aminomethyl)-N-[2-(1H-indol-3-yl)ethyl]pyridin-2-amine
SMILESNCc1ccc(NCCc2c[nH]c3ccccc23)nc1
InChIInChI=1S/C16H18N4/c17-9-12-5-6-16(20-10-12)18-8-7-13-11-19-15-4-2-1-3-14(13)15/h1-6,10-11,19H,7-9,17H2,(H,18,20)
InChIKeyRUWXGWRGRGLLBP-UHFFFAOYSA-N
MW266.35 g/mol
LogP2.68
Rot. Bonds5

About 5-(aminomethyl)-N-[2-(1H-indol-3-yl)ethyl]pyridin-2-amine

5-(aminomethyl)-N-[2-(1H-indol-3-yl)ethyl]pyridin-2-amine (PubChem CID 95471746) has the molecular formula C16H18N4 and a molecular weight of 266.35 g/mol. Its IUPAC name is 5-(aminomethyl)-N-[2-(1H-indol-3-yl)ethyl]pyridin-2-amine.

Molecular Properties

Compound Name5-(aminomethyl)-N-[2-(1H-indol-3-yl)ethyl]pyridin-2-amine
PubChem CID95471746
Molecular FormulaC16H18N4
Molecular Weight266.35 g/mol
Exact Mass266.15
IUPAC Name5-(aminomethyl)-N-[2-(1H-indol-3-yl)ethyl]pyridin-2-amine
SMILESNCc1ccc(NCCc2c[nH]c3ccccc23)nc1
InChIInChI=1S/C16H18N4/c17-9-12-5-6-16(20-10-12)18-8-7-13-11-19-15-4-2-1-3-14(13)15/h1-6,10-11,19H,7-9,17H2,(H,18,20)
InChIKeyRUWXGWRGRGLLBP-UHFFFAOYSA-N
XLogP2.68
TPSA66.73 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.35
LogP ≤ 52.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-N,6-N-bis[2-(1H-indol-3-yl)ethyl]pyrimidine-4,6-diamine
CID 112862352
N-[2-(1H-indol-3-yl)ethyl]-2H-triazol-4-amine
CID 54260739
4-N-[(4-fluorophenyl)methyl]-6-N-[2-(1H-indol-3-yl)ethyl]pyrimidine-4,6-diamine
CID 112859722
N,N-diethyl-6-[2-(1H-indol-3-yl)ethylamino]pyridine-3-carboxamide
CID 109159691
6-N-[2-(1H-indol-3-yl)ethyl]-4-N-[(4-methylphenyl)methyl]pyrimidine-4,6-diamine
CID 112859174
6-[2-(1H-indol-3-yl)ethylamino]-N-methyl-N-phenylpyridine-3-carboxamide
CID 109159705
6-N-[2-(1H-indol-3-yl)ethyl]-4-N-[(2-methylphenyl)methyl]pyrimidine-4,6-diamine
CID 112858907
1-[6-[2-(1H-indol-3-yl)ethylamino]-3-pyridinyl]-3-propan-2-ylurea
CID 113013854
6-[2-(1H-indol-3-yl)ethylamino]-N-(2-methylpropyl)pyridine-3-carboxamide
CID 109151886
5-[2-(1H-indol-3-yl)ethylamino]-N-[(4-methylphenyl)methyl]pyrazine-2-carboxamide
CID 109280515
4-N-[2-(1H-indol-3-yl)ethyl]-6-N-pentylpyrimidine-4,6-diamine
CID 112862363
4-N-cyclopropyl-6-N-[2-(1H-indol-3-yl)ethyl]pyrimidine-4,6-diamine
CID 112854725

Frequently Asked Questions

What is the IUPAC name of 5-(aminomethyl)-N-[2-(1H-indol-3-yl)ethyl]pyridin-2-amine?
The IUPAC name of 5-(aminomethyl)-N-[2-(1H-indol-3-yl)ethyl]pyridin-2-amine (CID 95471746) is 5-(aminomethyl)-N-[2-(1H-indol-3-yl)ethyl]pyridin-2-amine.
What is the SMILES notation for 5-(aminomethyl)-N-[2-(1H-indol-3-yl)ethyl]pyridin-2-amine?
The canonical SMILES for 5-(aminomethyl)-N-[2-(1H-indol-3-yl)ethyl]pyridin-2-amine is NCc1ccc(NCCc2c[nH]c3ccccc23)nc1.
What is the InChIKey of 5-(aminomethyl)-N-[2-(1H-indol-3-yl)ethyl]pyridin-2-amine?
The InChIKey is RUWXGWRGRGLLBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4/c17-9-12-5-6-16(20-10-12)18-8-7-13-11-19-15-4-2-1-3-14(13)15/h1-6,10-11,19H,7-9,17H2,(H,18,20).
What are the key properties of 5-(aminomethyl)-N-[2-(1H-indol-3-yl)ethyl]pyridin-2-amine?
5-(aminomethyl)-N-[2-(1H-indol-3-yl)ethyl]pyridin-2-amine has a molecular weight of 266.35 g/mol, XLogP of 2.68, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(aminomethyl)-N-[2-(1H-indol-3-yl)ethyl]pyridin-2-amine is sourced from PubChem (CID 95471746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).