3-chloro-6-N-[2-(6-chloro-1-methyl-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)ethyl]pyridine-2,6-diamine

C19H21Cl2N5 — CID 146387782

IUPAC3-chloro-6-N-[2-(6-chloro-1-methyl-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)ethyl]pyridine-2,6-diamine
SMILESCC1c2[nH]c3ccc(Cl)cc3c2CCN1CCNc1ccc(Cl)c(N)n1
InChIInChI=1S/C19H21Cl2N5/c1-11-18-13(14-10-12(20)2-4-16(14)24-18)6-8-26(11)9-7-23-17-5-3-15(21)19(22)25-17/h2-5,10-11,24H,6-9H2,1H3,(H3,22,23,25)
InChIKeyMWSRCEFGCQCGTA-UHFFFAOYSA-N
MW390.32 g/mol
LogP4.48
Rot. Bonds4

About 3-chloro-6-N-[2-(6-chloro-1-methyl-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)ethyl]pyridine-2,6-diamine

3-chloro-6-N-[2-(6-chloro-1-methyl-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)ethyl]pyridine-2,6-diamine (PubChem CID 146387782) has the molecular formula C19H21Cl2N5 and a molecular weight of 390.32 g/mol. Its IUPAC name is 3-chloro-6-N-[2-(6-chloro-1-methyl-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)ethyl]pyridine-2,6-diamine.

Molecular Properties

Compound Name3-chloro-6-N-[2-(6-chloro-1-methyl-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)ethyl]pyridine-2,6-diamine
PubChem CID146387782
Molecular FormulaC19H21Cl2N5
Molecular Weight390.32 g/mol
Exact Mass389.12
IUPAC Name3-chloro-6-N-[2-(6-chloro-1-methyl-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)ethyl]pyridine-2,6-diamine
SMILESCC1c2[nH]c3ccc(Cl)cc3c2CCN1CCNc1ccc(Cl)c(N)n1
InChIInChI=1S/C19H21Cl2N5/c1-11-18-13(14-10-12(20)2-4-16(14)24-18)6-8-26(11)9-7-23-17-5-3-15(21)19(22)25-17/h2-5,10-11,24H,6-9H2,1H3,(H3,22,23,25)
InChIKeyMWSRCEFGCQCGTA-UHFFFAOYSA-N
XLogP4.48
TPSA69.97 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.32
LogP ≤ 54.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Related Compounds

5-chloro-N-[2-[6-chloro-1-(1-methylpyrrolidin-2-yl)-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]ethyl]-6-methylpyridin-2-amine
CID 146388126
[6-chloro-2-[2-[(5-chloro-6-ethoxy-2-pyridinyl)amino]ethyl]-1,3,4,9-tetrahydropyrido[3,4-b]indol-1-yl]methanol
CID 146387857
N-[2-[1-[(3-amino-1-methylpyrrolidin-1-ium-1-yl)methyl]-6-chloro-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]ethyl]-5-chloro-6-(trifluoromethyl)pyridin-2-amine
CID 146381451
6-chloro-1,2-dimethyl-1,3,4,9-tetrahydropyrido[3,4-b]indole
CID 66911739
tert-butyl N-[1-[[6-chloro-2-[2-[[5-chloro-6-(trifluoromethyl)-2-pyridinyl]amino]ethyl]-1,3,4,9-tetrahydropyrido[3,4-b]indol-1-yl]methyl]pyrrolidin-3-yl]carbamate
CID 146388152
2-(6-chloro-1-methyl-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)-1-(4,5-dichloro-2-pyridinyl)ethanol
CID 146387802
2-[6-chloro-2-[2-(3-chloroanilino)ethyl]-1,3,4,9-tetrahydropyrido[3,4-b]indol-1-yl]acetaldehyde
CID 153405510
1,2-dimethyl-1,3,4,9-tetrahydropyrido[3,4-b]indol-6-ol
CID 45097462
1-methyl-2-(2-methylsulfonylethyl)-1,3,4,9-tetrahydropyrido[3,4-b]indole
CID 47287679
1-(6-chloro-2-methyl-1,3,4,9-tetrahydropyrido[3,4-b]indol-1-yl)cyclopentane-1-carboxylic acid
CID 18317970
2-[6-chloro-1-(hydroxymethyl)-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]-N-(4-chloro-2-hydroxyphenyl)acetamide
CID 146387637
6-chloro-N-propyl-2,3,4,9-tetrahydro-1H-carbazol-1-amine
CID 65332691

Frequently Asked Questions

What is the IUPAC name of 3-chloro-6-N-[2-(6-chloro-1-methyl-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)ethyl]pyridine-2,6-diamine?
The IUPAC name of 3-chloro-6-N-[2-(6-chloro-1-methyl-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)ethyl]pyridine-2,6-diamine (CID 146387782) is 3-chloro-6-N-[2-(6-chloro-1-methyl-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)ethyl]pyridine-2,6-diamine.
What is the SMILES notation for 3-chloro-6-N-[2-(6-chloro-1-methyl-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)ethyl]pyridine-2,6-diamine?
The canonical SMILES for 3-chloro-6-N-[2-(6-chloro-1-methyl-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)ethyl]pyridine-2,6-diamine is CC1c2[nH]c3ccc(Cl)cc3c2CCN1CCNc1ccc(Cl)c(N)n1.
What is the InChIKey of 3-chloro-6-N-[2-(6-chloro-1-methyl-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)ethyl]pyridine-2,6-diamine?
The InChIKey is MWSRCEFGCQCGTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21Cl2N5/c1-11-18-13(14-10-12(20)2-4-16(14)24-18)6-8-26(11)9-7-23-17-5-3-15(21)19(22)25-17/h2-5,10-11,24H,6-9H2,1H3,(H3,22,23,25).
What are the key properties of 3-chloro-6-N-[2-(6-chloro-1-methyl-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)ethyl]pyridine-2,6-diamine?
3-chloro-6-N-[2-(6-chloro-1-methyl-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)ethyl]pyridine-2,6-diamine has a molecular weight of 390.32 g/mol, XLogP of 4.48, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-6-N-[2-(6-chloro-1-methyl-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)ethyl]pyridine-2,6-diamine is sourced from PubChem (CID 146387782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).