3-N-methyl-4-[4-(methylaminomethyl)-1H-indol-2-yl]pyridine-2,3-diamine

C16H19N5 — CID 142923688

IUPAC3-N-methyl-4-[4-(methylaminomethyl)-1H-indol-2-yl]pyridine-2,3-diamine
SMILESCNCc1cccc2[nH]c(-c3ccnc(N)c3NC)cc12
InChIInChI=1S/C16H19N5/c1-18-9-10-4-3-5-13-12(10)8-14(21-13)11-6-7-20-16(17)15(11)19-2/h3-8,18-19,21H,9H2,1-2H3,(H2,17,20)
InChIKeyUDCSPTIWBLIKKH-UHFFFAOYSA-N
MW281.36 g/mol
LogP2.57
Rot. Bonds4

About 3-N-methyl-4-[4-(methylaminomethyl)-1H-indol-2-yl]pyridine-2,3-diamine

3-N-methyl-4-[4-(methylaminomethyl)-1H-indol-2-yl]pyridine-2,3-diamine (PubChem CID 142923688) has the molecular formula C16H19N5 and a molecular weight of 281.36 g/mol. Its IUPAC name is 3-N-methyl-4-[4-(methylaminomethyl)-1H-indol-2-yl]pyridine-2,3-diamine.

Molecular Properties

Compound Name3-N-methyl-4-[4-(methylaminomethyl)-1H-indol-2-yl]pyridine-2,3-diamine
PubChem CID142923688
Molecular FormulaC16H19N5
Molecular Weight281.36 g/mol
Exact Mass281.16
IUPAC Name3-N-methyl-4-[4-(methylaminomethyl)-1H-indol-2-yl]pyridine-2,3-diamine
SMILESCNCc1cccc2[nH]c(-c3ccnc(N)c3NC)cc12
InChIInChI=1S/C16H19N5/c1-18-9-10-4-3-5-13-12(10)8-14(21-13)11-6-7-20-16(17)15(11)19-2/h3-8,18-19,21H,9H2,1-2H3,(H2,17,20)
InChIKeyUDCSPTIWBLIKKH-UHFFFAOYSA-N
XLogP2.57
TPSA78.76 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 52.57
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-N-methyl-4-[4-(methylaminomethyl)-1H-indol-2-yl]pyridine-2,3-diamine?
The IUPAC name of 3-N-methyl-4-[4-(methylaminomethyl)-1H-indol-2-yl]pyridine-2,3-diamine (CID 142923688) is 3-N-methyl-4-[4-(methylaminomethyl)-1H-indol-2-yl]pyridine-2,3-diamine.
What is the SMILES notation for 3-N-methyl-4-[4-(methylaminomethyl)-1H-indol-2-yl]pyridine-2,3-diamine?
The canonical SMILES for 3-N-methyl-4-[4-(methylaminomethyl)-1H-indol-2-yl]pyridine-2,3-diamine is CNCc1cccc2[nH]c(-c3ccnc(N)c3NC)cc12.
What is the InChIKey of 3-N-methyl-4-[4-(methylaminomethyl)-1H-indol-2-yl]pyridine-2,3-diamine?
The InChIKey is UDCSPTIWBLIKKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N5/c1-18-9-10-4-3-5-13-12(10)8-14(21-13)11-6-7-20-16(17)15(11)19-2/h3-8,18-19,21H,9H2,1-2H3,(H2,17,20).
What are the key properties of 3-N-methyl-4-[4-(methylaminomethyl)-1H-indol-2-yl]pyridine-2,3-diamine?
3-N-methyl-4-[4-(methylaminomethyl)-1H-indol-2-yl]pyridine-2,3-diamine has a molecular weight of 281.36 g/mol, XLogP of 2.57, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-methyl-4-[4-(methylaminomethyl)-1H-indol-2-yl]pyridine-2,3-diamine is sourced from PubChem (CID 142923688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).