N-methyl-3-phenyl-3-(1H-pyrrolo[2,3-b]pyridin-3-yl)propan-1-amine

C17H19N3 — CID 16725756

IUPACN-methyl-3-phenyl-3-(1H-pyrrolo[2,3-b]pyridin-3-yl)propan-1-amine
SMILESCNCCC(c1ccccc1)c1c[nH]c2ncccc12
InChIInChI=1S/C17H19N3/c1-18-11-9-14(13-6-3-2-4-7-13)16-12-20-17-15(16)8-5-10-19-17/h2-8,10,12,14,18H,9,11H2,1H3,(H,19,20)
InChIKeyCQFYKVRMECCQIQ-UHFFFAOYSA-N
MW265.36 g/mol
LogP3.30
Rot. Bonds5

About N-methyl-3-phenyl-3-(1H-pyrrolo[2,3-b]pyridin-3-yl)propan-1-amine

N-methyl-3-phenyl-3-(1H-pyrrolo[2,3-b]pyridin-3-yl)propan-1-amine (PubChem CID 16725756) has the molecular formula C17H19N3 and a molecular weight of 265.36 g/mol. Its IUPAC name is N-methyl-3-phenyl-3-(1H-pyrrolo[2,3-b]pyridin-3-yl)propan-1-amine.

Molecular Properties

Compound NameN-methyl-3-phenyl-3-(1H-pyrrolo[2,3-b]pyridin-3-yl)propan-1-amine
PubChem CID16725756
Molecular FormulaC17H19N3
Molecular Weight265.36 g/mol
Exact Mass265.16
IUPAC NameN-methyl-3-phenyl-3-(1H-pyrrolo[2,3-b]pyridin-3-yl)propan-1-amine
SMILESCNCCC(c1ccccc1)c1c[nH]c2ncccc12
InChIInChI=1S/C17H19N3/c1-18-11-9-14(13-6-3-2-4-7-13)16-12-20-17-15(16)8-5-10-19-17/h2-8,10,12,14,18H,9,11H2,1H3,(H,19,20)
InChIKeyCQFYKVRMECCQIQ-UHFFFAOYSA-N
XLogP3.30
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 53.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-methyl-3-pyridin-3-yl-3-(1H-pyrrolo[2,3-b]pyridin-3-yl)propan-1-amine
CID 46178830
3-(4-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)-N-methyl-3-phenylpropan-1-amine
CID 46178745
4-phenyl-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)butan-2-one
CID 11594145
N-methyl-3-(7-methyl-1H-indol-3-yl)-3-phenylpropan-1-amine
CID 58088625
3-(1H-indol-3-yl)-3-(4-methoxyphenyl)-N-methylpropan-1-amine
CID 58088410
(1R)-1-(1H-pyrrolo[2,3-b]pyridin-3-yl)butan-1-amine
CID 131140420
N-[1-(1H-pyrrolo[2,3-b]pyridin-3-yl)ethyl]propan-1-amine
CID 115704290
N-methyl-3,3-diphenylpropan-1-amine;hydrochloride
CID 21467371
(3R)-3-(4-chloro-1H-indol-3-yl)-N-methyl-3-phenylpropan-1-amine
CID 58088531
(3S)-N-methyl-3-(1-methylindol-3-yl)-3-phenylpropan-1-amine
CID 58088577
N-(2-methoxyethyl)-1-(1H-pyrrolo[2,3-b]pyridin-3-yl)ethanamine
CID 115705603
1-(1H-pyrrolo[2,3-b]pyridin-3-yl)butane-1,2,4-triol
CID 171872464

Frequently Asked Questions

What is the IUPAC name of N-methyl-3-phenyl-3-(1H-pyrrolo[2,3-b]pyridin-3-yl)propan-1-amine?
The IUPAC name of N-methyl-3-phenyl-3-(1H-pyrrolo[2,3-b]pyridin-3-yl)propan-1-amine (CID 16725756) is N-methyl-3-phenyl-3-(1H-pyrrolo[2,3-b]pyridin-3-yl)propan-1-amine.
What is the SMILES notation for N-methyl-3-phenyl-3-(1H-pyrrolo[2,3-b]pyridin-3-yl)propan-1-amine?
The canonical SMILES for N-methyl-3-phenyl-3-(1H-pyrrolo[2,3-b]pyridin-3-yl)propan-1-amine is CNCCC(c1ccccc1)c1c[nH]c2ncccc12.
What is the InChIKey of N-methyl-3-phenyl-3-(1H-pyrrolo[2,3-b]pyridin-3-yl)propan-1-amine?
The InChIKey is CQFYKVRMECCQIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3/c1-18-11-9-14(13-6-3-2-4-7-13)16-12-20-17-15(16)8-5-10-19-17/h2-8,10,12,14,18H,9,11H2,1H3,(H,19,20).
What are the key properties of N-methyl-3-phenyl-3-(1H-pyrrolo[2,3-b]pyridin-3-yl)propan-1-amine?
N-methyl-3-phenyl-3-(1H-pyrrolo[2,3-b]pyridin-3-yl)propan-1-amine has a molecular weight of 265.36 g/mol, XLogP of 3.30, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-phenyl-3-(1H-pyrrolo[2,3-b]pyridin-3-yl)propan-1-amine is sourced from PubChem (CID 16725756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).