3-[[5-[6-(benzylamino)pyrazin-2-yl]-3-pyridinyl]amino]propan-1-ol

C19H21N5O — CID 5330365

IUPAC3-[[5-[6-(benzylamino)pyrazin-2-yl]-3-pyridinyl]amino]propan-1-ol
SMILESOCCCNc1cncc(-c2cncc(NCc3ccccc3)n2)c1
InChIInChI=1S/C19H21N5O/c25-8-4-7-22-17-9-16(11-20-12-17)18-13-21-14-19(24-18)23-10-15-5-2-1-3-6-15/h1-3,5-6,9,11-14,22,25H,4,7-8,10H2,(H,23,24)
InChIKeyDTEFNUQVFFTDEE-UHFFFAOYSA-N
MW335.41 g/mol
LogP2.94
Rot. Bonds8

About 3-[[5-[6-(benzylamino)pyrazin-2-yl]-3-pyridinyl]amino]propan-1-ol

3-[[5-[6-(benzylamino)pyrazin-2-yl]-3-pyridinyl]amino]propan-1-ol (PubChem CID 5330365) has the molecular formula C19H21N5O and a molecular weight of 335.41 g/mol. Its IUPAC name is 3-[[5-[6-(benzylamino)pyrazin-2-yl]-3-pyridinyl]amino]propan-1-ol.

Molecular Properties

Compound Name3-[[5-[6-(benzylamino)pyrazin-2-yl]-3-pyridinyl]amino]propan-1-ol
PubChem CID5330365
Molecular FormulaC19H21N5O
Molecular Weight335.41 g/mol
Exact Mass335.17
IUPAC Name3-[[5-[6-(benzylamino)pyrazin-2-yl]-3-pyridinyl]amino]propan-1-ol
SMILESOCCCNc1cncc(-c2cncc(NCc3ccccc3)n2)c1
InChIInChI=1S/C19H21N5O/c25-8-4-7-22-17-9-16(11-20-12-17)18-13-21-14-19(24-18)23-10-15-5-2-1-3-6-15/h1-3,5-6,9,11-14,22,25H,4,7-8,10H2,(H,23,24)
InChIKeyDTEFNUQVFFTDEE-UHFFFAOYSA-N
XLogP2.94
TPSA82.96 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.41
LogP ≤ 52.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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 3-[[5-[6-(benzylamino)pyrazin-2-yl]-3-pyridinyl]amino]propan-1-ol?
The IUPAC name of 3-[[5-[6-(benzylamino)pyrazin-2-yl]-3-pyridinyl]amino]propan-1-ol (CID 5330365) is 3-[[5-[6-(benzylamino)pyrazin-2-yl]-3-pyridinyl]amino]propan-1-ol.
What is the SMILES notation for 3-[[5-[6-(benzylamino)pyrazin-2-yl]-3-pyridinyl]amino]propan-1-ol?
The canonical SMILES for 3-[[5-[6-(benzylamino)pyrazin-2-yl]-3-pyridinyl]amino]propan-1-ol is OCCCNc1cncc(-c2cncc(NCc3ccccc3)n2)c1.
What is the InChIKey of 3-[[5-[6-(benzylamino)pyrazin-2-yl]-3-pyridinyl]amino]propan-1-ol?
The InChIKey is DTEFNUQVFFTDEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5O/c25-8-4-7-22-17-9-16(11-20-12-17)18-13-21-14-19(24-18)23-10-15-5-2-1-3-6-15/h1-3,5-6,9,11-14,22,25H,4,7-8,10H2,(H,23,24).
What are the key properties of 3-[[5-[6-(benzylamino)pyrazin-2-yl]-3-pyridinyl]amino]propan-1-ol?
3-[[5-[6-(benzylamino)pyrazin-2-yl]-3-pyridinyl]amino]propan-1-ol has a molecular weight of 335.41 g/mol, XLogP of 2.94, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[5-[6-(benzylamino)pyrazin-2-yl]-3-pyridinyl]amino]propan-1-ol is sourced from PubChem (CID 5330365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).