6-amino-N-pyridin-4-ylhexanamide;hydrochloride

C11H18ClN3O — CID 16745846

IUPAC6-amino-N-pyridin-4-ylhexanamide;hydrochloride
SMILESCl.NCCCCCC(=O)Nc1ccncc1
InChIInChI=1S/C11H17N3O.ClH/c12-7-3-1-2-4-11(15)14-10-5-8-13-9-6-10;/h5-6,8-9H,1-4,7,12H2,(H,13,14,15);1H
InChIKeySRFKMPNQDCPOFU-UHFFFAOYSA-N
MW243.74 g/mol
LogP1.96
Rot. Bonds6

About 6-amino-N-pyridin-4-ylhexanamide;hydrochloride

6-amino-N-pyridin-4-ylhexanamide;hydrochloride (PubChem CID 16745846) has the molecular formula C11H18ClN3O and a molecular weight of 243.74 g/mol. Its IUPAC name is 6-amino-N-pyridin-4-ylhexanamide;hydrochloride.

Molecular Properties

Compound Name6-amino-N-pyridin-4-ylhexanamide;hydrochloride
PubChem CID16745846
Molecular FormulaC11H18ClN3O
Molecular Weight243.74 g/mol
Exact Mass243.11
IUPAC Name6-amino-N-pyridin-4-ylhexanamide;hydrochloride
SMILESCl.NCCCCCC(=O)Nc1ccncc1
InChIInChI=1S/C11H17N3O.ClH/c12-7-3-1-2-4-11(15)14-10-5-8-13-9-6-10;/h5-6,8-9H,1-4,7,12H2,(H,13,14,15);1H
InChIKeySRFKMPNQDCPOFU-UHFFFAOYSA-N
XLogP1.96
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.74
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-amino-N-pyridin-4-ylhexanamide;hydrochloride?
The IUPAC name of 6-amino-N-pyridin-4-ylhexanamide;hydrochloride (CID 16745846) is 6-amino-N-pyridin-4-ylhexanamide;hydrochloride.
What is the SMILES notation for 6-amino-N-pyridin-4-ylhexanamide;hydrochloride?
The canonical SMILES for 6-amino-N-pyridin-4-ylhexanamide;hydrochloride is Cl.NCCCCCC(=O)Nc1ccncc1.
What is the InChIKey of 6-amino-N-pyridin-4-ylhexanamide;hydrochloride?
The InChIKey is SRFKMPNQDCPOFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O.ClH/c12-7-3-1-2-4-11(15)14-10-5-8-13-9-6-10;/h5-6,8-9H,1-4,7,12H2,(H,13,14,15);1H.
What are the key properties of 6-amino-N-pyridin-4-ylhexanamide;hydrochloride?
6-amino-N-pyridin-4-ylhexanamide;hydrochloride has a molecular weight of 243.74 g/mol, XLogP of 1.96, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-N-pyridin-4-ylhexanamide;hydrochloride is sourced from PubChem (CID 16745846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).