N-[[6-(hydroxyamino)-6-oxohexyl]-(pyridin-2-ylmethyl)carbamoyl]benzamide

C20H24N4O4 — CID 46890540

IUPACN-[[6-(hydroxyamino)-6-oxohexyl]-(pyridin-2-ylmethyl)carbamoyl]benzamide
SMILESO=C(CCCCCN(Cc1ccccn1)C(=O)NC(=O)c1ccccc1)NO
InChIInChI=1S/C20H24N4O4/c25-18(23-28)12-5-2-8-14-24(15-17-11-6-7-13-21-17)20(27)22-19(26)16-9-3-1-4-10-16/h1,3-4,6-7,9-11,13,28H,2,5,8,12,14-15H2,(H,23,25)(H,22,26,27)
InChIKeyDEKDRKOBNHSPFL-UHFFFAOYSA-N
MW384.44 g/mol
LogP2.50
Rot. Bonds9

About N-[[6-(hydroxyamino)-6-oxohexyl]-(pyridin-2-ylmethyl)carbamoyl]benzamide

N-[[6-(hydroxyamino)-6-oxohexyl]-(pyridin-2-ylmethyl)carbamoyl]benzamide (PubChem CID 46890540) has the molecular formula C20H24N4O4 and a molecular weight of 384.44 g/mol. Its IUPAC name is N-[[6-(hydroxyamino)-6-oxohexyl]-(pyridin-2-ylmethyl)carbamoyl]benzamide.

Molecular Properties

Compound NameN-[[6-(hydroxyamino)-6-oxohexyl]-(pyridin-2-ylmethyl)carbamoyl]benzamide
PubChem CID46890540
Molecular FormulaC20H24N4O4
Molecular Weight384.44 g/mol
Exact Mass384.18
IUPAC NameN-[[6-(hydroxyamino)-6-oxohexyl]-(pyridin-2-ylmethyl)carbamoyl]benzamide
SMILESO=C(CCCCCN(Cc1ccccn1)C(=O)NC(=O)c1ccccc1)NO
InChIInChI=1S/C20H24N4O4/c25-18(23-28)12-5-2-8-14-24(15-17-11-6-7-13-21-17)20(27)22-19(26)16-9-3-1-4-10-16/h1,3-4,6-7,9-11,13,28H,2,5,8,12,14-15H2,(H,23,25)(H,22,26,27)
InChIKeyDEKDRKOBNHSPFL-UHFFFAOYSA-N
XLogP2.50
TPSA111.63 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.44
LogP ≤ 52.50
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-[[6-(hydroxyamino)-6-oxohexyl]-(pyridin-2-ylmethyl)carbamoyl]benzamide?
The IUPAC name of N-[[6-(hydroxyamino)-6-oxohexyl]-(pyridin-2-ylmethyl)carbamoyl]benzamide (CID 46890540) is N-[[6-(hydroxyamino)-6-oxohexyl]-(pyridin-2-ylmethyl)carbamoyl]benzamide.
What is the SMILES notation for N-[[6-(hydroxyamino)-6-oxohexyl]-(pyridin-2-ylmethyl)carbamoyl]benzamide?
The canonical SMILES for N-[[6-(hydroxyamino)-6-oxohexyl]-(pyridin-2-ylmethyl)carbamoyl]benzamide is O=C(CCCCCN(Cc1ccccn1)C(=O)NC(=O)c1ccccc1)NO.
What is the InChIKey of N-[[6-(hydroxyamino)-6-oxohexyl]-(pyridin-2-ylmethyl)carbamoyl]benzamide?
The InChIKey is DEKDRKOBNHSPFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O4/c25-18(23-28)12-5-2-8-14-24(15-17-11-6-7-13-21-17)20(27)22-19(26)16-9-3-1-4-10-16/h1,3-4,6-7,9-11,13,28H,2,5,8,12,14-15H2,(H,23,25)(H,22,26,27).
What are the key properties of N-[[6-(hydroxyamino)-6-oxohexyl]-(pyridin-2-ylmethyl)carbamoyl]benzamide?
N-[[6-(hydroxyamino)-6-oxohexyl]-(pyridin-2-ylmethyl)carbamoyl]benzamide has a molecular weight of 384.44 g/mol, XLogP of 2.50, 9 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[6-(hydroxyamino)-6-oxohexyl]-(pyridin-2-ylmethyl)carbamoyl]benzamide is sourced from PubChem (CID 46890540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).