N,N-dimethyl-1-(4-pyrrolo[2,3-b]pyridin-1-ylphenyl)methanamine

C16H17N3 — CID 44521487

IUPACN,N-dimethyl-1-(4-pyrrolo[2,3-b]pyridin-1-ylphenyl)methanamine
SMILESCN(C)Cc1ccc(-n2ccc3cccnc32)cc1
InChIInChI=1S/C16H17N3/c1-18(2)12-13-5-7-15(8-6-13)19-11-9-14-4-3-10-17-16(14)19/h3-11H,12H2,1-2H3
InChIKeyNYHVJHFWDJMUAU-UHFFFAOYSA-N
MW251.33 g/mol
LogP3.09
Rot. Bonds3

About N,N-dimethyl-1-(4-pyrrolo[2,3-b]pyridin-1-ylphenyl)methanamine

N,N-dimethyl-1-(4-pyrrolo[2,3-b]pyridin-1-ylphenyl)methanamine (PubChem CID 44521487) has the molecular formula C16H17N3 and a molecular weight of 251.33 g/mol. Its IUPAC name is N,N-dimethyl-1-(4-pyrrolo[2,3-b]pyridin-1-ylphenyl)methanamine.

Molecular Properties

Compound NameN,N-dimethyl-1-(4-pyrrolo[2,3-b]pyridin-1-ylphenyl)methanamine
PubChem CID44521487
Molecular FormulaC16H17N3
Molecular Weight251.33 g/mol
Exact Mass251.14
IUPAC NameN,N-dimethyl-1-(4-pyrrolo[2,3-b]pyridin-1-ylphenyl)methanamine
SMILESCN(C)Cc1ccc(-n2ccc3cccnc32)cc1
InChIInChI=1S/C16H17N3/c1-18(2)12-13-5-7-15(8-6-13)19-11-9-14-4-3-10-17-16(14)19/h3-11H,12H2,1-2H3
InChIKeyNYHVJHFWDJMUAU-UHFFFAOYSA-N
XLogP3.09
TPSA21.06 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-phenylpyrrolo[2,3-b]pyridine
CID 18372148
tris(4-pyrrolo[2,3-b]pyridin-1-ylphenyl)bismuthane
CID 138972796
4-pyrrolo[2,3-b]pyridin-1-ylbenzonitrile
CID 53302005
1-[4-[4-methyl-6-(4-pyrrolo[2,3-b]pyridin-1-ylphenyl)-1,3,5-triazin-2-yl]phenyl]pyrrolo[2,3-b]pyridine
CID 126561534
2-(5-pyrrolo[2,3-b]pyridin-1-yl-2-pyridinyl)propan-2-ol
CID 140781022
tert-butyl N-methyl-N-[[4-[2-(4-pyrrolo[2,3-b]pyridin-1-ylphenyl)-4-(1,3-thiazol-2-yl)imidazol-1-yl]phenyl]methyl]carbamate
CID 59706915
1-[3-(trifluoromethyl)phenyl]pyrrolo[2,3-b]pyridine
CID 151593977
N-[(2R)-2-(4-pyrrolo[2,3-b]pyridin-1-ylphenyl)propyl]propane-2-sulfonamide
CID 71730687
1-methylpyrrolo[2,3-b]pyridine;propane
CID 144881648
N-methyl-2-[4-[2-(4-pyrrolo[2,3-b]pyridin-1-ylphenyl)-4-(1,3-thiazol-2-yl)imidazol-1-yl]phenyl]ethanamine
CID 59706888
methane;1-methylpyrrolo[2,3-b]pyridine
CID 142434166
N-ethylpyrrolo[2,3-b]pyridin-1-amine
CID 10419482

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-1-(4-pyrrolo[2,3-b]pyridin-1-ylphenyl)methanamine?
The IUPAC name of N,N-dimethyl-1-(4-pyrrolo[2,3-b]pyridin-1-ylphenyl)methanamine (CID 44521487) is N,N-dimethyl-1-(4-pyrrolo[2,3-b]pyridin-1-ylphenyl)methanamine.
What is the SMILES notation for N,N-dimethyl-1-(4-pyrrolo[2,3-b]pyridin-1-ylphenyl)methanamine?
The canonical SMILES for N,N-dimethyl-1-(4-pyrrolo[2,3-b]pyridin-1-ylphenyl)methanamine is CN(C)Cc1ccc(-n2ccc3cccnc32)cc1.
What is the InChIKey of N,N-dimethyl-1-(4-pyrrolo[2,3-b]pyridin-1-ylphenyl)methanamine?
The InChIKey is NYHVJHFWDJMUAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3/c1-18(2)12-13-5-7-15(8-6-13)19-11-9-14-4-3-10-17-16(14)19/h3-11H,12H2,1-2H3.
What are the key properties of N,N-dimethyl-1-(4-pyrrolo[2,3-b]pyridin-1-ylphenyl)methanamine?
N,N-dimethyl-1-(4-pyrrolo[2,3-b]pyridin-1-ylphenyl)methanamine has a molecular weight of 251.33 g/mol, XLogP of 3.09, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-1-(4-pyrrolo[2,3-b]pyridin-1-ylphenyl)methanamine is sourced from PubChem (CID 44521487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).