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

C19H21N5O2 — CID 5330360

IUPAC3-[[5-[6-(3-methoxyanilino)pyrazin-2-yl]-3-pyridinyl]amino]propan-1-ol
SMILESCOc1cccc(Nc2cncc(-c3cncc(NCCCO)c3)n2)c1
InChIInChI=1S/C19H21N5O2/c1-26-17-5-2-4-15(9-17)23-19-13-21-12-18(24-19)14-8-16(11-20-10-14)22-6-3-7-25/h2,4-5,8-13,22,25H,3,6-7H2,1H3,(H,23,24)
InChIKeyTYOTYOPLSRQPGK-UHFFFAOYSA-N
MW351.41 g/mol
LogP3.09
Rot. Bonds8

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

3-[[5-[6-(3-methoxyanilino)pyrazin-2-yl]-3-pyridinyl]amino]propan-1-ol (PubChem CID 5330360) has the molecular formula C19H21N5O2 and a molecular weight of 351.41 g/mol. Its IUPAC name is 3-[[5-[6-(3-methoxyanilino)pyrazin-2-yl]-3-pyridinyl]amino]propan-1-ol.

Molecular Properties

Compound Name3-[[5-[6-(3-methoxyanilino)pyrazin-2-yl]-3-pyridinyl]amino]propan-1-ol
PubChem CID5330360
Molecular FormulaC19H21N5O2
Molecular Weight351.41 g/mol
Exact Mass351.17
IUPAC Name3-[[5-[6-(3-methoxyanilino)pyrazin-2-yl]-3-pyridinyl]amino]propan-1-ol
SMILESCOc1cccc(Nc2cncc(-c3cncc(NCCCO)c3)n2)c1
InChIInChI=1S/C19H21N5O2/c1-26-17-5-2-4-15(9-17)23-19-13-21-12-18(24-19)14-8-16(11-20-10-14)22-6-3-7-25/h2,4-5,8-13,22,25H,3,6-7H2,1H3,(H,23,24)
InChIKeyTYOTYOPLSRQPGK-UHFFFAOYSA-N
XLogP3.09
TPSA92.19 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.41
LogP ≤ 53.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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-(3-methoxyanilino)pyrazin-2-yl]-3-pyridinyl]amino]propan-1-ol?
The IUPAC name of 3-[[5-[6-(3-methoxyanilino)pyrazin-2-yl]-3-pyridinyl]amino]propan-1-ol (CID 5330360) is 3-[[5-[6-(3-methoxyanilino)pyrazin-2-yl]-3-pyridinyl]amino]propan-1-ol.
What is the SMILES notation for 3-[[5-[6-(3-methoxyanilino)pyrazin-2-yl]-3-pyridinyl]amino]propan-1-ol?
The canonical SMILES for 3-[[5-[6-(3-methoxyanilino)pyrazin-2-yl]-3-pyridinyl]amino]propan-1-ol is COc1cccc(Nc2cncc(-c3cncc(NCCCO)c3)n2)c1.
What is the InChIKey of 3-[[5-[6-(3-methoxyanilino)pyrazin-2-yl]-3-pyridinyl]amino]propan-1-ol?
The InChIKey is TYOTYOPLSRQPGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5O2/c1-26-17-5-2-4-15(9-17)23-19-13-21-12-18(24-19)14-8-16(11-20-10-14)22-6-3-7-25/h2,4-5,8-13,22,25H,3,6-7H2,1H3,(H,23,24).
What are the key properties of 3-[[5-[6-(3-methoxyanilino)pyrazin-2-yl]-3-pyridinyl]amino]propan-1-ol?
3-[[5-[6-(3-methoxyanilino)pyrazin-2-yl]-3-pyridinyl]amino]propan-1-ol has a molecular weight of 351.41 g/mol, XLogP of 3.09, 8 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[5-[6-(3-methoxyanilino)pyrazin-2-yl]-3-pyridinyl]amino]propan-1-ol is sourced from PubChem (CID 5330360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).