N-[[7-(hydroxyamino)-7-oxoheptyl]-(pyridin-2-ylmethyl)carbamoyl]benzamide

C21H26N4O4 — CID 11326996

IUPACN-[[7-(hydroxyamino)-7-oxoheptyl]-(pyridin-2-ylmethyl)carbamoyl]benzamide
SMILESO=C(CCCCCCN(Cc1ccccn1)C(=O)NC(=O)c1ccccc1)NO
InChIInChI=1S/C21H26N4O4/c26-19(24-29)13-6-1-2-9-15-25(16-18-12-7-8-14-22-18)21(28)23-20(27)17-10-4-3-5-11-17/h3-5,7-8,10-12,14,29H,1-2,6,9,13,15-16H2,(H,24,26)(H,23,27,28)
InChIKeyPKJAJLSDHXPRTC-UHFFFAOYSA-N
MW398.46 g/mol
LogP2.89
Rot. Bonds10

About N-[[7-(hydroxyamino)-7-oxoheptyl]-(pyridin-2-ylmethyl)carbamoyl]benzamide

N-[[7-(hydroxyamino)-7-oxoheptyl]-(pyridin-2-ylmethyl)carbamoyl]benzamide (PubChem CID 11326996) has the molecular formula C21H26N4O4 and a molecular weight of 398.46 g/mol. Its IUPAC name is N-[[7-(hydroxyamino)-7-oxoheptyl]-(pyridin-2-ylmethyl)carbamoyl]benzamide.

Molecular Properties

Compound NameN-[[7-(hydroxyamino)-7-oxoheptyl]-(pyridin-2-ylmethyl)carbamoyl]benzamide
PubChem CID11326996
Molecular FormulaC21H26N4O4
Molecular Weight398.46 g/mol
Exact Mass398.20
IUPAC NameN-[[7-(hydroxyamino)-7-oxoheptyl]-(pyridin-2-ylmethyl)carbamoyl]benzamide
SMILESO=C(CCCCCCN(Cc1ccccn1)C(=O)NC(=O)c1ccccc1)NO
InChIInChI=1S/C21H26N4O4/c26-19(24-29)13-6-1-2-9-15-25(16-18-12-7-8-14-22-18)21(28)23-20(27)17-10-4-3-5-11-17/h3-5,7-8,10-12,14,29H,1-2,6,9,13,15-16H2,(H,24,26)(H,23,27,28)
InChIKeyPKJAJLSDHXPRTC-UHFFFAOYSA-N
XLogP2.89
TPSA111.63 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.46
LogP ≤ 52.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[[7-(hydroxyamino)-7-oxoheptyl]-(pyridin-2-ylmethyl)carbamoyl]benzamide?
The IUPAC name of N-[[7-(hydroxyamino)-7-oxoheptyl]-(pyridin-2-ylmethyl)carbamoyl]benzamide (CID 11326996) is N-[[7-(hydroxyamino)-7-oxoheptyl]-(pyridin-2-ylmethyl)carbamoyl]benzamide.
What is the SMILES notation for N-[[7-(hydroxyamino)-7-oxoheptyl]-(pyridin-2-ylmethyl)carbamoyl]benzamide?
The canonical SMILES for N-[[7-(hydroxyamino)-7-oxoheptyl]-(pyridin-2-ylmethyl)carbamoyl]benzamide is O=C(CCCCCCN(Cc1ccccn1)C(=O)NC(=O)c1ccccc1)NO.
What is the InChIKey of N-[[7-(hydroxyamino)-7-oxoheptyl]-(pyridin-2-ylmethyl)carbamoyl]benzamide?
The InChIKey is PKJAJLSDHXPRTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N4O4/c26-19(24-29)13-6-1-2-9-15-25(16-18-12-7-8-14-22-18)21(28)23-20(27)17-10-4-3-5-11-17/h3-5,7-8,10-12,14,29H,1-2,6,9,13,15-16H2,(H,24,26)(H,23,27,28).
What are the key properties of N-[[7-(hydroxyamino)-7-oxoheptyl]-(pyridin-2-ylmethyl)carbamoyl]benzamide?
N-[[7-(hydroxyamino)-7-oxoheptyl]-(pyridin-2-ylmethyl)carbamoyl]benzamide has a molecular weight of 398.46 g/mol, XLogP of 2.89, 10 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[7-(hydroxyamino)-7-oxoheptyl]-(pyridin-2-ylmethyl)carbamoyl]benzamide is sourced from PubChem (CID 11326996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).