3-(2-pyridin-3-ylindol-1-yl)propanimidamide;hydrochloride

C16H17ClN4 — CID 82021479

IUPAC3-(2-pyridin-3-ylindol-1-yl)propanimidamide;hydrochloride
SMILESCl.[H]/N=C(\N)CCn1c(-c2cccnc2)cc2ccccc21
InChIInChI=1S/C16H16N4.ClH/c17-16(18)7-9-20-14-6-2-1-4-12(14)10-15(20)13-5-3-8-19-11-13;/h1-6,8,10-11H,7,9H2,(H3,17,18);1H
InChIKeyHUGCDHKGWWBLKK-UHFFFAOYSA-N
MW300.79 g/mol
LogP3.45
Rot. Bonds4

About 3-(2-pyridin-3-ylindol-1-yl)propanimidamide;hydrochloride

3-(2-pyridin-3-ylindol-1-yl)propanimidamide;hydrochloride (PubChem CID 82021479) has the molecular formula C16H17ClN4 and a molecular weight of 300.79 g/mol. Its IUPAC name is 3-(2-pyridin-3-ylindol-1-yl)propanimidamide;hydrochloride.

Molecular Properties

Compound Name3-(2-pyridin-3-ylindol-1-yl)propanimidamide;hydrochloride
PubChem CID82021479
Molecular FormulaC16H17ClN4
Molecular Weight300.79 g/mol
Exact Mass300.11
IUPAC Name3-(2-pyridin-3-ylindol-1-yl)propanimidamide;hydrochloride
SMILESCl.[H]/N=C(\N)CCn1c(-c2cccnc2)cc2ccccc21
InChIInChI=1S/C16H16N4.ClH/c17-16(18)7-9-20-14-6-2-1-4-12(14)10-15(20)13-5-3-8-19-11-13;/h1-6,8,10-11H,7,9H2,(H3,17,18);1H
InChIKeyHUGCDHKGWWBLKK-UHFFFAOYSA-N
XLogP3.45
TPSA67.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.79
LogP ≤ 53.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(2-pyridin-3-ylindol-1-yl)propanimidamide;hydrochloride?
The IUPAC name of 3-(2-pyridin-3-ylindol-1-yl)propanimidamide;hydrochloride (CID 82021479) is 3-(2-pyridin-3-ylindol-1-yl)propanimidamide;hydrochloride.
What is the SMILES notation for 3-(2-pyridin-3-ylindol-1-yl)propanimidamide;hydrochloride?
The canonical SMILES for 3-(2-pyridin-3-ylindol-1-yl)propanimidamide;hydrochloride is Cl.[H]/N=C(\N)CCn1c(-c2cccnc2)cc2ccccc21.
What is the InChIKey of 3-(2-pyridin-3-ylindol-1-yl)propanimidamide;hydrochloride?
The InChIKey is HUGCDHKGWWBLKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4.ClH/c17-16(18)7-9-20-14-6-2-1-4-12(14)10-15(20)13-5-3-8-19-11-13;/h1-6,8,10-11H,7,9H2,(H3,17,18);1H.
What are the key properties of 3-(2-pyridin-3-ylindol-1-yl)propanimidamide;hydrochloride?
3-(2-pyridin-3-ylindol-1-yl)propanimidamide;hydrochloride has a molecular weight of 300.79 g/mol, XLogP of 3.45, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-pyridin-3-ylindol-1-yl)propanimidamide;hydrochloride is sourced from PubChem (CID 82021479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).