2-N,2-N-dimethyl-5-N-[(1-methyl-2,3-dihydroindol-5-yl)methyl]pyridine-2,5-diamine

C17H22N4 — CID 62095305

IUPAC2-N,2-N-dimethyl-5-N-[(1-methyl-2,3-dihydroindol-5-yl)methyl]pyridine-2,5-diamine
SMILESCN(C)c1ccc(NCc2ccc3c(c2)CCN3C)cn1
InChIInChI=1S/C17H22N4/c1-20(2)17-7-5-15(12-19-17)18-11-13-4-6-16-14(10-13)8-9-21(16)3/h4-7,10,12,18H,8-9,11H2,1-3H3
InChIKeyASARPVIGMGQUEJ-UHFFFAOYSA-N
MW282.39 g/mol
LogP2.75
Rot. Bonds4

About 2-N,2-N-dimethyl-5-N-[(1-methyl-2,3-dihydroindol-5-yl)methyl]pyridine-2,5-diamine

2-N,2-N-dimethyl-5-N-[(1-methyl-2,3-dihydroindol-5-yl)methyl]pyridine-2,5-diamine (PubChem CID 62095305) has the molecular formula C17H22N4 and a molecular weight of 282.39 g/mol. Its IUPAC name is 2-N,2-N-dimethyl-5-N-[(1-methyl-2,3-dihydroindol-5-yl)methyl]pyridine-2,5-diamine.

Molecular Properties

Compound Name2-N,2-N-dimethyl-5-N-[(1-methyl-2,3-dihydroindol-5-yl)methyl]pyridine-2,5-diamine
PubChem CID62095305
Molecular FormulaC17H22N4
Molecular Weight282.39 g/mol
Exact Mass282.18
IUPAC Name2-N,2-N-dimethyl-5-N-[(1-methyl-2,3-dihydroindol-5-yl)methyl]pyridine-2,5-diamine
SMILESCN(C)c1ccc(NCc2ccc3c(c2)CCN3C)cn1
InChIInChI=1S/C17H22N4/c1-20(2)17-7-5-15(12-19-17)18-11-13-4-6-16-14(10-13)8-9-21(16)3/h4-7,10,12,18H,8-9,11H2,1-3H3
InChIKeyASARPVIGMGQUEJ-UHFFFAOYSA-N
XLogP2.75
TPSA31.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.39
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-N,2-N-dimethyl-5-N-[(1-methyl-2,3-dihydroindol-5-yl)methyl]pyridine-2,5-diamine?
The IUPAC name of 2-N,2-N-dimethyl-5-N-[(1-methyl-2,3-dihydroindol-5-yl)methyl]pyridine-2,5-diamine (CID 62095305) is 2-N,2-N-dimethyl-5-N-[(1-methyl-2,3-dihydroindol-5-yl)methyl]pyridine-2,5-diamine.
What is the SMILES notation for 2-N,2-N-dimethyl-5-N-[(1-methyl-2,3-dihydroindol-5-yl)methyl]pyridine-2,5-diamine?
The canonical SMILES for 2-N,2-N-dimethyl-5-N-[(1-methyl-2,3-dihydroindol-5-yl)methyl]pyridine-2,5-diamine is CN(C)c1ccc(NCc2ccc3c(c2)CCN3C)cn1.
What is the InChIKey of 2-N,2-N-dimethyl-5-N-[(1-methyl-2,3-dihydroindol-5-yl)methyl]pyridine-2,5-diamine?
The InChIKey is ASARPVIGMGQUEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4/c1-20(2)17-7-5-15(12-19-17)18-11-13-4-6-16-14(10-13)8-9-21(16)3/h4-7,10,12,18H,8-9,11H2,1-3H3.
What are the key properties of 2-N,2-N-dimethyl-5-N-[(1-methyl-2,3-dihydroindol-5-yl)methyl]pyridine-2,5-diamine?
2-N,2-N-dimethyl-5-N-[(1-methyl-2,3-dihydroindol-5-yl)methyl]pyridine-2,5-diamine has a molecular weight of 282.39 g/mol, XLogP of 2.75, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,2-N-dimethyl-5-N-[(1-methyl-2,3-dihydroindol-5-yl)methyl]pyridine-2,5-diamine is sourced from PubChem (CID 62095305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).