3-(2-pyridin-2-yl-1H-indol-3-yl)propan-1-amine

C16H17N3 — CID 170868095

IUPAC3-(2-pyridin-2-yl-1H-indol-3-yl)propan-1-amine
SMILESNCCCc1c(-c2ccccn2)[nH]c2ccccc12
InChIInChI=1S/C16H17N3/c17-10-5-7-13-12-6-1-2-8-14(12)19-16(13)15-9-3-4-11-18-15/h1-4,6,8-9,11,19H,5,7,10,17H2
InChIKeyYUYUTVKHRUYLEN-UHFFFAOYSA-N
MW251.33 g/mol
LogP3.12
Rot. Bonds4

About 3-(2-pyridin-2-yl-1H-indol-3-yl)propan-1-amine

3-(2-pyridin-2-yl-1H-indol-3-yl)propan-1-amine (PubChem CID 170868095) has the molecular formula C16H17N3 and a molecular weight of 251.33 g/mol. Its IUPAC name is 3-(2-pyridin-2-yl-1H-indol-3-yl)propan-1-amine.

Molecular Properties

Compound Name3-(2-pyridin-2-yl-1H-indol-3-yl)propan-1-amine
PubChem CID170868095
Molecular FormulaC16H17N3
Molecular Weight251.33 g/mol
Exact Mass251.14
IUPAC Name3-(2-pyridin-2-yl-1H-indol-3-yl)propan-1-amine
SMILESNCCCc1c(-c2ccccn2)[nH]c2ccccc12
InChIInChI=1S/C16H17N3/c17-10-5-7-13-12-6-1-2-8-14(12)19-16(13)15-9-3-4-11-18-15/h1-4,6,8-9,11,19H,5,7,10,17H2
InChIKeyYUYUTVKHRUYLEN-UHFFFAOYSA-N
XLogP3.12
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 53.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Related Compounds

2-(2-pyridin-2-yl-1H-indol-3-yl)ethanamine
CID 2771640
N-pyridin-2-yl-4-(2-pyridin-2-yl-1H-indol-3-yl)butanamide
CID 18846778
1-(azepan-1-yl)-4-(2-pyridin-2-yl-1H-indol-3-yl)butan-1-one
CID 18827484
4-(2-quinolin-5-yl-1H-indol-3-yl)butan-1-amine
CID 3891095
4-(5-chloro-7-methyl-2-pyridin-2-yl-1H-indol-3-yl)butan-1-amine
CID 3574352
N-benzyl-N-methyl-4-(2-pyridin-2-yl-1H-indol-3-yl)butanamide
CID 18827558
naphthalen-1-yl 4-(2-pyridin-2-yl-1H-indol-3-yl)butanoate
CID 18827560
1-[4-(2-fluorophenyl)piperazin-1-yl]-4-(2-pyridin-2-yl-1H-indol-3-yl)butan-1-one
CID 18827431
3-[2-(3,5-dimethylphenyl)-1H-indol-3-yl]propan-1-amine
CID 67663685
N-cyclohexyl-4-(2-pyridin-2-yl-1H-indol-3-yl)butanamide
CID 18827474
N-(2,6-dichlorophenyl)-4-(2-pyridin-2-yl-1H-indol-3-yl)butanamide
CID 18827573
N-(2,5-dichlorophenyl)-4-(2-pyridin-2-yl-1H-indol-3-yl)butanamide
CID 18827506

Frequently Asked Questions

What is the IUPAC name of 3-(2-pyridin-2-yl-1H-indol-3-yl)propan-1-amine?
The IUPAC name of 3-(2-pyridin-2-yl-1H-indol-3-yl)propan-1-amine (CID 170868095) is 3-(2-pyridin-2-yl-1H-indol-3-yl)propan-1-amine.
What is the SMILES notation for 3-(2-pyridin-2-yl-1H-indol-3-yl)propan-1-amine?
The canonical SMILES for 3-(2-pyridin-2-yl-1H-indol-3-yl)propan-1-amine is NCCCc1c(-c2ccccn2)[nH]c2ccccc12.
What is the InChIKey of 3-(2-pyridin-2-yl-1H-indol-3-yl)propan-1-amine?
The InChIKey is YUYUTVKHRUYLEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3/c17-10-5-7-13-12-6-1-2-8-14(12)19-16(13)15-9-3-4-11-18-15/h1-4,6,8-9,11,19H,5,7,10,17H2.
What are the key properties of 3-(2-pyridin-2-yl-1H-indol-3-yl)propan-1-amine?
3-(2-pyridin-2-yl-1H-indol-3-yl)propan-1-amine has a molecular weight of 251.33 g/mol, XLogP of 3.12, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-pyridin-2-yl-1H-indol-3-yl)propan-1-amine is sourced from PubChem (CID 170868095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).