N',N'-dimethyl-1-phenyl-1-(1H-pyrrolo[2,3-c]pyridin-4-yl)ethane-1,2-diamine

C17H20N4 — CID 126523862

IUPACN',N'-dimethyl-1-phenyl-1-(1H-pyrrolo[2,3-c]pyridin-4-yl)ethane-1,2-diamine
SMILESCN(C)CC(N)(c1ccccc1)c1cncc2[nH]ccc12
InChIInChI=1S/C17H20N4/c1-21(2)12-17(18,13-6-4-3-5-7-13)15-10-19-11-16-14(15)8-9-20-16/h3-11,20H,12,18H2,1-2H3
InChIKeyLKEDKZYIXGDKRL-UHFFFAOYSA-N
MW280.38 g/mol
LogP2.33
Rot. Bonds4

About N',N'-dimethyl-1-phenyl-1-(1H-pyrrolo[2,3-c]pyridin-4-yl)ethane-1,2-diamine

N',N'-dimethyl-1-phenyl-1-(1H-pyrrolo[2,3-c]pyridin-4-yl)ethane-1,2-diamine (PubChem CID 126523862) has the molecular formula C17H20N4 and a molecular weight of 280.38 g/mol. Its IUPAC name is N',N'-dimethyl-1-phenyl-1-(1H-pyrrolo[2,3-c]pyridin-4-yl)ethane-1,2-diamine.

Molecular Properties

Compound NameN',N'-dimethyl-1-phenyl-1-(1H-pyrrolo[2,3-c]pyridin-4-yl)ethane-1,2-diamine
PubChem CID126523862
Molecular FormulaC17H20N4
Molecular Weight280.38 g/mol
Exact Mass280.17
IUPAC NameN',N'-dimethyl-1-phenyl-1-(1H-pyrrolo[2,3-c]pyridin-4-yl)ethane-1,2-diamine
SMILESCN(C)CC(N)(c1ccccc1)c1cncc2[nH]ccc12
InChIInChI=1S/C17H20N4/c1-21(2)12-17(18,13-6-4-3-5-7-13)15-10-19-11-16-14(15)8-9-20-16/h3-11,20H,12,18H2,1-2H3
InChIKeyLKEDKZYIXGDKRL-UHFFFAOYSA-N
XLogP2.33
TPSA57.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.38
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-methyl-1H-pyrrolo[2,3-c]pyridine;molecular hydrogen
CID 163390564
N',N'-dimethyl-2,2-diphenylpropane-1,3-diamine;hydrochloride
CID 54599759
2-(1H-indol-3-yl)-2-phenylpropan-1-amine
CID 102100966
1-(4-methyl-3-pyridinyl)-1-phenylbutan-1-amine
CID 66274156
ethyl 5-(1H-indol-4-yl)pyridine-3-carboxylate
CID 10491979
1-[[4-(dimethylamino)-1-methyl-4-phenylcyclohexyl]methyl]-3-phosphanyl-1-(1H-pyrrolo[2,3-c]pyridin-4-yl)urea
CID 170238476
(2R)-2-amino-2-[(dimethylamino)methyl]-3-(1H-indol-3-yl)propanoic acid
CID 70101978
4-(1,1-difluoroethyl)-1H-indole
CID 145206515
1-N-(2,2-dimethylpropyl)-1-N-methyl-2-phenylpropane-1,2-diamine
CID 62488447
4-(1H-indol-4-yl)-1-methylpyrazol-5-amine
CID 117303081
2-(1H-indol-4-yl)-2-methylpropanoic acid
CID 117119069
[4-[(2-ethylphenyl)-(2-methylphenyl)methylidene]piperidin-1-yl]-(1H-pyrrolo[2,3-c]pyridin-4-yl)methanone;formaldehyde
CID 166114854

Frequently Asked Questions

What is the IUPAC name of N',N'-dimethyl-1-phenyl-1-(1H-pyrrolo[2,3-c]pyridin-4-yl)ethane-1,2-diamine?
The IUPAC name of N',N'-dimethyl-1-phenyl-1-(1H-pyrrolo[2,3-c]pyridin-4-yl)ethane-1,2-diamine (CID 126523862) is N',N'-dimethyl-1-phenyl-1-(1H-pyrrolo[2,3-c]pyridin-4-yl)ethane-1,2-diamine.
What is the SMILES notation for N',N'-dimethyl-1-phenyl-1-(1H-pyrrolo[2,3-c]pyridin-4-yl)ethane-1,2-diamine?
The canonical SMILES for N',N'-dimethyl-1-phenyl-1-(1H-pyrrolo[2,3-c]pyridin-4-yl)ethane-1,2-diamine is CN(C)CC(N)(c1ccccc1)c1cncc2[nH]ccc12.
What is the InChIKey of N',N'-dimethyl-1-phenyl-1-(1H-pyrrolo[2,3-c]pyridin-4-yl)ethane-1,2-diamine?
The InChIKey is LKEDKZYIXGDKRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4/c1-21(2)12-17(18,13-6-4-3-5-7-13)15-10-19-11-16-14(15)8-9-20-16/h3-11,20H,12,18H2,1-2H3.
What are the key properties of N',N'-dimethyl-1-phenyl-1-(1H-pyrrolo[2,3-c]pyridin-4-yl)ethane-1,2-diamine?
N',N'-dimethyl-1-phenyl-1-(1H-pyrrolo[2,3-c]pyridin-4-yl)ethane-1,2-diamine has a molecular weight of 280.38 g/mol, XLogP of 2.33, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N',N'-dimethyl-1-phenyl-1-(1H-pyrrolo[2,3-c]pyridin-4-yl)ethane-1,2-diamine is sourced from PubChem (CID 126523862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).