(8S,11R,12S)-12-N-hydroxy-3-methyl-11-(2-methylpropyl)-2,10-dioxo-8-N-pyridin-4-yl-1-oxa-3,9-diazacyclopentadecane-8,12-dicarboxamide

C24H37N5O6 — CID 10874655

IUPAC(8S,11R,12S)-12-N-hydroxy-3-methyl-11-(2-methylpropyl)-2,10-dioxo-8-N-pyridin-4-yl-1-oxa-3,9-diazacyclopentadecane-8,12-dicarboxamide
SMILESCC(C)C[C@H]1C(=O)N[C@H](C(=O)Nc2ccncc2)CCCCN(C)C(=O)OCCC[C@@H]1C(=O)NO
InChIInChI=1S/C24H37N5O6/c1-16(2)15-19-18(22(31)28-34)7-6-14-35-24(33)29(3)13-5-4-8-20(27-21(19)30)23(32)26-17-9-11-25-12-10-17/h9-12,16,18-20,34H,4-8,13-15H2,1-3H3,(H,27,30)(H,28,31)(H,25,26,32)/t18-,19+,20-/m0/s1
InChIKeyGIAZVRZDQRZKPP-ZCNNSNEGSA-N
MW491.59 g/mol
LogP2.32
Rot. Bonds5

About (8S,11R,12S)-12-N-hydroxy-3-methyl-11-(2-methylpropyl)-2,10-dioxo-8-N-pyridin-4-yl-1-oxa-3,9-diazacyclopentadecane-8,12-dicarboxamide

(8S,11R,12S)-12-N-hydroxy-3-methyl-11-(2-methylpropyl)-2,10-dioxo-8-N-pyridin-4-yl-1-oxa-3,9-diazacyclopentadecane-8,12-dicarboxamide (PubChem CID 10874655) has the molecular formula C24H37N5O6 and a molecular weight of 491.59 g/mol. Its IUPAC name is (8S,11R,12S)-12-N-hydroxy-3-methyl-11-(2-methylpropyl)-2,10-dioxo-8-N-pyridin-4-yl-1-oxa-3,9-diazacyclopentadecane-8,12-dicarboxamide.

Molecular Properties

Compound Name(8S,11R,12S)-12-N-hydroxy-3-methyl-11-(2-methylpropyl)-2,10-dioxo-8-N-pyridin-4-yl-1-oxa-3,9-diazacyclopentadecane-8,12-dicarboxamide
PubChem CID10874655
Molecular FormulaC24H37N5O6
Molecular Weight491.59 g/mol
Exact Mass491.27
IUPAC Name(8S,11R,12S)-12-N-hydroxy-3-methyl-11-(2-methylpropyl)-2,10-dioxo-8-N-pyridin-4-yl-1-oxa-3,9-diazacyclopentadecane-8,12-dicarboxamide
SMILESCC(C)C[C@H]1C(=O)N[C@H](C(=O)Nc2ccncc2)CCCCN(C)C(=O)OCCC[C@@H]1C(=O)NO
InChIInChI=1S/C24H37N5O6/c1-16(2)15-19-18(22(31)28-34)7-6-14-35-24(33)29(3)13-5-4-8-20(27-21(19)30)23(32)26-17-9-11-25-12-10-17/h9-12,16,18-20,34H,4-8,13-15H2,1-3H3,(H,27,30)(H,28,31)(H,25,26,32)/t18-,19+,20-/m0/s1
InChIKeyGIAZVRZDQRZKPP-ZCNNSNEGSA-N
XLogP2.32
TPSA149.96 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500491.59
LogP ≤ 52.32
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'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 (8S,11R,12S)-12-N-hydroxy-3-methyl-11-(2-methylpropyl)-2,10-dioxo-8-N-pyridin-4-yl-1-oxa-3,9-diazacyclopentadecane-8,12-dicarboxamide?
The IUPAC name of (8S,11R,12S)-12-N-hydroxy-3-methyl-11-(2-methylpropyl)-2,10-dioxo-8-N-pyridin-4-yl-1-oxa-3,9-diazacyclopentadecane-8,12-dicarboxamide (CID 10874655) is (8S,11R,12S)-12-N-hydroxy-3-methyl-11-(2-methylpropyl)-2,10-dioxo-8-N-pyridin-4-yl-1-oxa-3,9-diazacyclopentadecane-8,12-dicarboxamide.
What is the SMILES notation for (8S,11R,12S)-12-N-hydroxy-3-methyl-11-(2-methylpropyl)-2,10-dioxo-8-N-pyridin-4-yl-1-oxa-3,9-diazacyclopentadecane-8,12-dicarboxamide?
The canonical SMILES for (8S,11R,12S)-12-N-hydroxy-3-methyl-11-(2-methylpropyl)-2,10-dioxo-8-N-pyridin-4-yl-1-oxa-3,9-diazacyclopentadecane-8,12-dicarboxamide is CC(C)C[C@H]1C(=O)N[C@H](C(=O)Nc2ccncc2)CCCCN(C)C(=O)OCCC[C@@H]1C(=O)NO.
What is the InChIKey of (8S,11R,12S)-12-N-hydroxy-3-methyl-11-(2-methylpropyl)-2,10-dioxo-8-N-pyridin-4-yl-1-oxa-3,9-diazacyclopentadecane-8,12-dicarboxamide?
The InChIKey is GIAZVRZDQRZKPP-ZCNNSNEGSA-N. The full InChI is InChI=1S/C24H37N5O6/c1-16(2)15-19-18(22(31)28-34)7-6-14-35-24(33)29(3)13-5-4-8-20(27-21(19)30)23(32)26-17-9-11-25-12-10-17/h9-12,16,18-20,34H,4-8,13-15H2,1-3H3,(H,27,30)(H,28,31)(H,25,26,32)/t18-,19+,20-/m0/s1.
What are the key properties of (8S,11R,12S)-12-N-hydroxy-3-methyl-11-(2-methylpropyl)-2,10-dioxo-8-N-pyridin-4-yl-1-oxa-3,9-diazacyclopentadecane-8,12-dicarboxamide?
(8S,11R,12S)-12-N-hydroxy-3-methyl-11-(2-methylpropyl)-2,10-dioxo-8-N-pyridin-4-yl-1-oxa-3,9-diazacyclopentadecane-8,12-dicarboxamide has a molecular weight of 491.59 g/mol, XLogP of 2.32, 5 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (8S,11R,12S)-12-N-hydroxy-3-methyl-11-(2-methylpropyl)-2,10-dioxo-8-N-pyridin-4-yl-1-oxa-3,9-diazacyclopentadecane-8,12-dicarboxamide is sourced from PubChem (CID 10874655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).