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

C16H18N4 — CID 46178830

IUPACN-methyl-3-pyridin-3-yl-3-(1H-pyrrolo[2,3-b]pyridin-3-yl)propan-1-amine
SMILESCNCCC(c1cccnc1)c1c[nH]c2ncccc12
InChIInChI=1S/C16H18N4/c1-17-9-6-13(12-4-2-7-18-10-12)15-11-20-16-14(15)5-3-8-19-16/h2-5,7-8,10-11,13,17H,6,9H2,1H3,(H,19,20)
InChIKeyBWPDBYKNPQYGHU-UHFFFAOYSA-N
MW266.35 g/mol
LogP2.70
Rot. Bonds5

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

N-methyl-3-pyridin-3-yl-3-(1H-pyrrolo[2,3-b]pyridin-3-yl)propan-1-amine (PubChem CID 46178830) has the molecular formula C16H18N4 and a molecular weight of 266.35 g/mol. Its IUPAC name is N-methyl-3-pyridin-3-yl-3-(1H-pyrrolo[2,3-b]pyridin-3-yl)propan-1-amine.

Molecular Properties

Compound NameN-methyl-3-pyridin-3-yl-3-(1H-pyrrolo[2,3-b]pyridin-3-yl)propan-1-amine
PubChem CID46178830
Molecular FormulaC16H18N4
Molecular Weight266.35 g/mol
Exact Mass266.15
IUPAC NameN-methyl-3-pyridin-3-yl-3-(1H-pyrrolo[2,3-b]pyridin-3-yl)propan-1-amine
SMILESCNCCC(c1cccnc1)c1c[nH]c2ncccc12
InChIInChI=1S/C16H18N4/c1-17-9-6-13(12-4-2-7-18-10-12)15-11-20-16-14(15)5-3-8-19-16/h2-5,7-8,10-11,13,17H,6,9H2,1H3,(H,19,20)
InChIKeyBWPDBYKNPQYGHU-UHFFFAOYSA-N
XLogP2.70
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.35
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-3-phenyl-3-(1H-pyrrolo[2,3-b]pyridin-3-yl)propan-1-amine
CID 16725756
3-(4-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)-N-methyl-3-phenylpropan-1-amine
CID 46178745
4-methoxy-3-[3-(methylamino)-1-pyridin-3-ylpropyl]-1H-indole-7-carbonitrile
CID 58088593
4-phenyl-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)butan-2-one
CID 11594145
(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-2-naphthalen-1-yl-2-pyridin-3-ylethanamine
CID 116824810
3-(1H-indol-3-yl)-3-(4-methoxyphenyl)-N-methylpropan-1-amine
CID 58088410
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
(3S)-N-methyl-3-(1-methylindol-3-yl)-3-phenylpropan-1-amine
CID 58088577
3-[(4-chlorophenyl)-(1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]-1H-pyrrolo[2,3-b]pyridine
CID 170418991

Frequently Asked Questions

What is the IUPAC name of N-methyl-3-pyridin-3-yl-3-(1H-pyrrolo[2,3-b]pyridin-3-yl)propan-1-amine?
The IUPAC name of N-methyl-3-pyridin-3-yl-3-(1H-pyrrolo[2,3-b]pyridin-3-yl)propan-1-amine (CID 46178830) is N-methyl-3-pyridin-3-yl-3-(1H-pyrrolo[2,3-b]pyridin-3-yl)propan-1-amine.
What is the SMILES notation for N-methyl-3-pyridin-3-yl-3-(1H-pyrrolo[2,3-b]pyridin-3-yl)propan-1-amine?
The canonical SMILES for N-methyl-3-pyridin-3-yl-3-(1H-pyrrolo[2,3-b]pyridin-3-yl)propan-1-amine is CNCCC(c1cccnc1)c1c[nH]c2ncccc12.
What is the InChIKey of N-methyl-3-pyridin-3-yl-3-(1H-pyrrolo[2,3-b]pyridin-3-yl)propan-1-amine?
The InChIKey is BWPDBYKNPQYGHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4/c1-17-9-6-13(12-4-2-7-18-10-12)15-11-20-16-14(15)5-3-8-19-16/h2-5,7-8,10-11,13,17H,6,9H2,1H3,(H,19,20).
What are the key properties of N-methyl-3-pyridin-3-yl-3-(1H-pyrrolo[2,3-b]pyridin-3-yl)propan-1-amine?
N-methyl-3-pyridin-3-yl-3-(1H-pyrrolo[2,3-b]pyridin-3-yl)propan-1-amine has a molecular weight of 266.35 g/mol, XLogP of 2.70, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-pyridin-3-yl-3-(1H-pyrrolo[2,3-b]pyridin-3-yl)propan-1-amine is sourced from PubChem (CID 46178830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).