3-hydroxy-N-[3-[(6-phenylmethoxypyrazin-2-yl)amino]propyl]benzamide

C21H22N4O3 — CID 71857385

IUPAC3-hydroxy-N-[3-[(6-phenylmethoxypyrazin-2-yl)amino]propyl]benzamide
SMILESO=C(NCCCNc1cncc(OCc2ccccc2)n1)c1cccc(O)c1
InChIInChI=1S/C21H22N4O3/c26-18-9-4-8-17(12-18)21(27)24-11-5-10-23-19-13-22-14-20(25-19)28-15-16-6-2-1-3-7-16/h1-4,6-9,12-14,26H,5,10-11,15H2,(H,23,25)(H,24,27)
InChIKeyNFCNSUOYCMMRRZ-UHFFFAOYSA-N
MW378.43 g/mol
LogP2.99
Rot. Bonds9

About 3-hydroxy-N-[3-[(6-phenylmethoxypyrazin-2-yl)amino]propyl]benzamide

3-hydroxy-N-[3-[(6-phenylmethoxypyrazin-2-yl)amino]propyl]benzamide (PubChem CID 71857385) has the molecular formula C21H22N4O3 and a molecular weight of 378.43 g/mol. Its IUPAC name is 3-hydroxy-N-[3-[(6-phenylmethoxypyrazin-2-yl)amino]propyl]benzamide.

Molecular Properties

Compound Name3-hydroxy-N-[3-[(6-phenylmethoxypyrazin-2-yl)amino]propyl]benzamide
PubChem CID71857385
Molecular FormulaC21H22N4O3
Molecular Weight378.43 g/mol
Exact Mass378.17
IUPAC Name3-hydroxy-N-[3-[(6-phenylmethoxypyrazin-2-yl)amino]propyl]benzamide
SMILESO=C(NCCCNc1cncc(OCc2ccccc2)n1)c1cccc(O)c1
InChIInChI=1S/C21H22N4O3/c26-18-9-4-8-17(12-18)21(27)24-11-5-10-23-19-13-22-14-20(25-19)28-15-16-6-2-1-3-7-16/h1-4,6-9,12-14,26H,5,10-11,15H2,(H,23,25)(H,24,27)
InChIKeyNFCNSUOYCMMRRZ-UHFFFAOYSA-N
XLogP2.99
TPSA96.37 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.43
LogP ≤ 52.99
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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Related Compounds

6-phenylmethoxy-N-propylpyrazin-2-amine
CID 80858905
2-hydroxy-N-[3-[(3-hydroxybenzoyl)amino]propyl]benzamide
CID 51105782
(2R)-1-[(6-phenylmethoxypyrazin-2-yl)amino]propan-2-ol
CID 97087587
N-pentyl-3-phenylmethoxybenzamide
CID 112759707
N-(3-anilinopropyl)-4-phenylmethoxybenzamide
CID 56586584
N-[3-(3-hydroxyphenyl)propyl]pyridine-3-carboxamide
CID 84509269
3-[(3-hydroxybenzoyl)amino]propanoic acid
CID 16773120
3-hydroxy-N-octylbenzamide
CID 115568584
3-hydroxy-N-(quinolin-3-ylmethyl)benzamide
CID 110472397
N-[3-[(3-hydroxybenzoyl)amino]propyl]-1H-indazole-3-carboxamide
CID 51105768
N-(2-bromoethyl)-3-hydroxybenzamide
CID 114307478
benzyl 3-hydroxybenzoate
CID 11736317

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-N-[3-[(6-phenylmethoxypyrazin-2-yl)amino]propyl]benzamide?
The IUPAC name of 3-hydroxy-N-[3-[(6-phenylmethoxypyrazin-2-yl)amino]propyl]benzamide (CID 71857385) is 3-hydroxy-N-[3-[(6-phenylmethoxypyrazin-2-yl)amino]propyl]benzamide.
What is the SMILES notation for 3-hydroxy-N-[3-[(6-phenylmethoxypyrazin-2-yl)amino]propyl]benzamide?
The canonical SMILES for 3-hydroxy-N-[3-[(6-phenylmethoxypyrazin-2-yl)amino]propyl]benzamide is O=C(NCCCNc1cncc(OCc2ccccc2)n1)c1cccc(O)c1.
What is the InChIKey of 3-hydroxy-N-[3-[(6-phenylmethoxypyrazin-2-yl)amino]propyl]benzamide?
The InChIKey is NFCNSUOYCMMRRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O3/c26-18-9-4-8-17(12-18)21(27)24-11-5-10-23-19-13-22-14-20(25-19)28-15-16-6-2-1-3-7-16/h1-4,6-9,12-14,26H,5,10-11,15H2,(H,23,25)(H,24,27).
What are the key properties of 3-hydroxy-N-[3-[(6-phenylmethoxypyrazin-2-yl)amino]propyl]benzamide?
3-hydroxy-N-[3-[(6-phenylmethoxypyrazin-2-yl)amino]propyl]benzamide has a molecular weight of 378.43 g/mol, XLogP of 2.99, 9 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-N-[3-[(6-phenylmethoxypyrazin-2-yl)amino]propyl]benzamide is sourced from PubChem (CID 71857385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).