1-[6-chloro-1-[(5-methyl-3-pyridinyl)methyl]indol-3-yl]-N-methylmethanamine

C17H18ClN3 — CID 102878056

IUPAC1-[6-chloro-1-[(5-methyl-3-pyridinyl)methyl]indol-3-yl]-N-methylmethanamine
SMILESCNCc1cn(Cc2cncc(C)c2)c2cc(Cl)ccc12
InChIInChI=1S/C17H18ClN3/c1-12-5-13(8-20-7-12)10-21-11-14(9-19-2)16-4-3-15(18)6-17(16)21/h3-8,11,19H,9-10H2,1-2H3
InChIKeyDGZZZURBBQFVHE-UHFFFAOYSA-N
MW299.81 g/mol
LogP3.77
Rot. Bonds4

About 1-[6-chloro-1-[(5-methyl-3-pyridinyl)methyl]indol-3-yl]-N-methylmethanamine

1-[6-chloro-1-[(5-methyl-3-pyridinyl)methyl]indol-3-yl]-N-methylmethanamine (PubChem CID 102878056) has the molecular formula C17H18ClN3 and a molecular weight of 299.81 g/mol. Its IUPAC name is 1-[6-chloro-1-[(5-methyl-3-pyridinyl)methyl]indol-3-yl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[6-chloro-1-[(5-methyl-3-pyridinyl)methyl]indol-3-yl]-N-methylmethanamine
PubChem CID102878056
Molecular FormulaC17H18ClN3
Molecular Weight299.81 g/mol
Exact Mass299.12
IUPAC Name1-[6-chloro-1-[(5-methyl-3-pyridinyl)methyl]indol-3-yl]-N-methylmethanamine
SMILESCNCc1cn(Cc2cncc(C)c2)c2cc(Cl)ccc12
InChIInChI=1S/C17H18ClN3/c1-12-5-13(8-20-7-12)10-21-11-14(9-19-2)16-4-3-15(18)6-17(16)21/h3-8,11,19H,9-10H2,1-2H3
InChIKeyDGZZZURBBQFVHE-UHFFFAOYSA-N
XLogP3.77
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.81
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[6-chloro-1-[(5-methyl-3-pyridinyl)methyl]indol-3-yl]-N-methylmethanamine?
The IUPAC name of 1-[6-chloro-1-[(5-methyl-3-pyridinyl)methyl]indol-3-yl]-N-methylmethanamine (CID 102878056) is 1-[6-chloro-1-[(5-methyl-3-pyridinyl)methyl]indol-3-yl]-N-methylmethanamine.
What is the SMILES notation for 1-[6-chloro-1-[(5-methyl-3-pyridinyl)methyl]indol-3-yl]-N-methylmethanamine?
The canonical SMILES for 1-[6-chloro-1-[(5-methyl-3-pyridinyl)methyl]indol-3-yl]-N-methylmethanamine is CNCc1cn(Cc2cncc(C)c2)c2cc(Cl)ccc12.
What is the InChIKey of 1-[6-chloro-1-[(5-methyl-3-pyridinyl)methyl]indol-3-yl]-N-methylmethanamine?
The InChIKey is DGZZZURBBQFVHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClN3/c1-12-5-13(8-20-7-12)10-21-11-14(9-19-2)16-4-3-15(18)6-17(16)21/h3-8,11,19H,9-10H2,1-2H3.
What are the key properties of 1-[6-chloro-1-[(5-methyl-3-pyridinyl)methyl]indol-3-yl]-N-methylmethanamine?
1-[6-chloro-1-[(5-methyl-3-pyridinyl)methyl]indol-3-yl]-N-methylmethanamine has a molecular weight of 299.81 g/mol, XLogP of 3.77, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-chloro-1-[(5-methyl-3-pyridinyl)methyl]indol-3-yl]-N-methylmethanamine is sourced from PubChem (CID 102878056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).