4-[6-amino-5-(6-methoxy-3-pyridinyl)-3-pyridinyl]-N-(3-hydroxypropyl)benzamide

C21H22N4O3 — CID 53312232

IUPAC4-[6-amino-5-(6-methoxy-3-pyridinyl)-3-pyridinyl]-N-(3-hydroxypropyl)benzamide
SMILESCOc1ccc(-c2cc(-c3ccc(C(=O)NCCCO)cc3)cnc2N)cn1
InChIInChI=1S/C21H22N4O3/c1-28-19-8-7-16(12-24-19)18-11-17(13-25-20(18)22)14-3-5-15(6-4-14)21(27)23-9-2-10-26/h3-8,11-13,26H,2,9-10H2,1H3,(H2,22,25)(H,23,27)
InChIKeyWEMIDIZCMUDJIR-UHFFFAOYSA-N
MW378.43 g/mol
LogP2.51
Rot. Bonds7

About 4-[6-amino-5-(6-methoxy-3-pyridinyl)-3-pyridinyl]-N-(3-hydroxypropyl)benzamide

4-[6-amino-5-(6-methoxy-3-pyridinyl)-3-pyridinyl]-N-(3-hydroxypropyl)benzamide (PubChem CID 53312232) has the molecular formula C21H22N4O3 and a molecular weight of 378.43 g/mol. Its IUPAC name is 4-[6-amino-5-(6-methoxy-3-pyridinyl)-3-pyridinyl]-N-(3-hydroxypropyl)benzamide.

Molecular Properties

Compound Name4-[6-amino-5-(6-methoxy-3-pyridinyl)-3-pyridinyl]-N-(3-hydroxypropyl)benzamide
PubChem CID53312232
Molecular FormulaC21H22N4O3
Molecular Weight378.43 g/mol
Exact Mass378.17
IUPAC Name4-[6-amino-5-(6-methoxy-3-pyridinyl)-3-pyridinyl]-N-(3-hydroxypropyl)benzamide
SMILESCOc1ccc(-c2cc(-c3ccc(C(=O)NCCCO)cc3)cnc2N)cn1
InChIInChI=1S/C21H22N4O3/c1-28-19-8-7-16(12-24-19)18-11-17(13-25-20(18)22)14-3-5-15(6-4-14)21(27)23-9-2-10-26/h3-8,11-13,26H,2,9-10H2,1H3,(H2,22,25)(H,23,27)
InChIKeyWEMIDIZCMUDJIR-UHFFFAOYSA-N
XLogP2.51
TPSA110.36 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.43
LogP ≤ 52.51
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 4-[6-amino-5-(6-methoxy-3-pyridinyl)-3-pyridinyl]-N-(3-hydroxypropyl)benzamide?
The IUPAC name of 4-[6-amino-5-(6-methoxy-3-pyridinyl)-3-pyridinyl]-N-(3-hydroxypropyl)benzamide (CID 53312232) is 4-[6-amino-5-(6-methoxy-3-pyridinyl)-3-pyridinyl]-N-(3-hydroxypropyl)benzamide.
What is the SMILES notation for 4-[6-amino-5-(6-methoxy-3-pyridinyl)-3-pyridinyl]-N-(3-hydroxypropyl)benzamide?
The canonical SMILES for 4-[6-amino-5-(6-methoxy-3-pyridinyl)-3-pyridinyl]-N-(3-hydroxypropyl)benzamide is COc1ccc(-c2cc(-c3ccc(C(=O)NCCCO)cc3)cnc2N)cn1.
What is the InChIKey of 4-[6-amino-5-(6-methoxy-3-pyridinyl)-3-pyridinyl]-N-(3-hydroxypropyl)benzamide?
The InChIKey is WEMIDIZCMUDJIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O3/c1-28-19-8-7-16(12-24-19)18-11-17(13-25-20(18)22)14-3-5-15(6-4-14)21(27)23-9-2-10-26/h3-8,11-13,26H,2,9-10H2,1H3,(H2,22,25)(H,23,27).
What are the key properties of 4-[6-amino-5-(6-methoxy-3-pyridinyl)-3-pyridinyl]-N-(3-hydroxypropyl)benzamide?
4-[6-amino-5-(6-methoxy-3-pyridinyl)-3-pyridinyl]-N-(3-hydroxypropyl)benzamide has a molecular weight of 378.43 g/mol, XLogP of 2.51, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-amino-5-(6-methoxy-3-pyridinyl)-3-pyridinyl]-N-(3-hydroxypropyl)benzamide is sourced from PubChem (CID 53312232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).