3-(2-amino-5-pyridin-3-ylanilino)propan-1-ol

C14H17N3O — CID 163261663

IUPAC3-(2-amino-5-pyridin-3-ylanilino)propan-1-ol
SMILESNc1ccc(-c2cccnc2)cc1NCCCO
InChIInChI=1S/C14H17N3O/c15-13-5-4-11(12-3-1-6-16-10-12)9-14(13)17-7-2-8-18/h1,3-6,9-10,17-18H,2,7-8,15H2
InChIKeyLYURCYGESWXBGL-UHFFFAOYSA-N
MW243.31 g/mol
LogP2.13
Rot. Bonds5

About 3-(2-amino-5-pyridin-3-ylanilino)propan-1-ol

3-(2-amino-5-pyridin-3-ylanilino)propan-1-ol (PubChem CID 163261663) has the molecular formula C14H17N3O and a molecular weight of 243.31 g/mol. Its IUPAC name is 3-(2-amino-5-pyridin-3-ylanilino)propan-1-ol.

Molecular Properties

Compound Name3-(2-amino-5-pyridin-3-ylanilino)propan-1-ol
PubChem CID163261663
Molecular FormulaC14H17N3O
Molecular Weight243.31 g/mol
Exact Mass243.14
IUPAC Name3-(2-amino-5-pyridin-3-ylanilino)propan-1-ol
SMILESNc1ccc(-c2cccnc2)cc1NCCCO
InChIInChI=1S/C14H17N3O/c15-13-5-4-11(12-3-1-6-16-10-12)9-14(13)17-7-2-8-18/h1,3-6,9-10,17-18H,2,7-8,15H2
InChIKeyLYURCYGESWXBGL-UHFFFAOYSA-N
XLogP2.13
TPSA71.17 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 52.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(2-amino-5-pyridin-3-ylanilino)propan-1-ol?
The IUPAC name of 3-(2-amino-5-pyridin-3-ylanilino)propan-1-ol (CID 163261663) is 3-(2-amino-5-pyridin-3-ylanilino)propan-1-ol.
What is the SMILES notation for 3-(2-amino-5-pyridin-3-ylanilino)propan-1-ol?
The canonical SMILES for 3-(2-amino-5-pyridin-3-ylanilino)propan-1-ol is Nc1ccc(-c2cccnc2)cc1NCCCO.
What is the InChIKey of 3-(2-amino-5-pyridin-3-ylanilino)propan-1-ol?
The InChIKey is LYURCYGESWXBGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O/c15-13-5-4-11(12-3-1-6-16-10-12)9-14(13)17-7-2-8-18/h1,3-6,9-10,17-18H,2,7-8,15H2.
What are the key properties of 3-(2-amino-5-pyridin-3-ylanilino)propan-1-ol?
3-(2-amino-5-pyridin-3-ylanilino)propan-1-ol has a molecular weight of 243.31 g/mol, XLogP of 2.13, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-amino-5-pyridin-3-ylanilino)propan-1-ol is sourced from PubChem (CID 163261663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).