N-hydroxy-N'-[3-methyl-5-oxo-5-(pyridin-2-ylamino)pentyl]-3-(2-methylpropyl)-2-propan-2-ylbutanediamide

C22H36N4O4 — CID 10342101

IUPACN-hydroxy-N'-[3-methyl-5-oxo-5-(pyridin-2-ylamino)pentyl]-3-(2-methylpropyl)-2-propan-2-ylbutanediamide
SMILESCC(C)CC(C(=O)NCCC(C)CC(=O)Nc1ccccn1)C(C(=O)NO)C(C)C
InChIInChI=1S/C22H36N4O4/c1-14(2)12-17(20(15(3)4)22(29)26-30)21(28)24-11-9-16(5)13-19(27)25-18-8-6-7-10-23-18/h6-8,10,14-17,20,30H,9,11-13H2,1-5H3,(H,24,28)(H,26,29)(H,23,25,27)
InChIKeyQSJOESDHKFYUTJ-UHFFFAOYSA-N
MW420.55 g/mol
LogP2.99
Rot. Bonds12

About N-hydroxy-N'-[3-methyl-5-oxo-5-(pyridin-2-ylamino)pentyl]-3-(2-methylpropyl)-2-propan-2-ylbutanediamide

N-hydroxy-N'-[3-methyl-5-oxo-5-(pyridin-2-ylamino)pentyl]-3-(2-methylpropyl)-2-propan-2-ylbutanediamide (PubChem CID 10342101) has the molecular formula C22H36N4O4 and a molecular weight of 420.55 g/mol. Its IUPAC name is N-hydroxy-N'-[3-methyl-5-oxo-5-(pyridin-2-ylamino)pentyl]-3-(2-methylpropyl)-2-propan-2-ylbutanediamide.

Molecular Properties

Compound NameN-hydroxy-N'-[3-methyl-5-oxo-5-(pyridin-2-ylamino)pentyl]-3-(2-methylpropyl)-2-propan-2-ylbutanediamide
PubChem CID10342101
Molecular FormulaC22H36N4O4
Molecular Weight420.55 g/mol
Exact Mass420.27
IUPAC NameN-hydroxy-N'-[3-methyl-5-oxo-5-(pyridin-2-ylamino)pentyl]-3-(2-methylpropyl)-2-propan-2-ylbutanediamide
SMILESCC(C)CC(C(=O)NCCC(C)CC(=O)Nc1ccccn1)C(C(=O)NO)C(C)C
InChIInChI=1S/C22H36N4O4/c1-14(2)12-17(20(15(3)4)22(29)26-30)21(28)24-11-9-16(5)13-19(27)25-18-8-6-7-10-23-18/h6-8,10,14-17,20,30H,9,11-13H2,1-5H3,(H,24,28)(H,26,29)(H,23,25,27)
InChIKeyQSJOESDHKFYUTJ-UHFFFAOYSA-N
XLogP2.99
TPSA120.42 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.55
LogP ≤ 52.99
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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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Related Compounds

1-[(3R)-3-[(S)-methylsulfinyl]butyl]-3-pyridin-2-ylurea
CID 97351423
(2S,3R)-3-[[(2S)-3,3-dimethyl-1-oxo-1-(pyridin-2-ylamino)butan-2-yl]carbamoyl]-2-hydroxy-5-methylhexanoic acid
CID 70257923
(3S)-3-[formyl(hydroxy)amino]-4-methyl-N-[(2S)-3-methyl-1-oxo-1-(pyridin-2-ylamino)pentan-2-yl]-2-(2-methylpropyl)pentanamide
CID 89051069
(2R)-2-ethyl-5-oxo-5-(pyridin-2-ylamino)pentanoic acid
CID 946111
2-(butan-2-ylamino)-N-pyridin-2-ylacetamide
CID 60852283
N,N'-dipyridin-2-ylbutanediamide
CID 3684644
N-[(2S)-3-methyl-1-oxo-1-(pyridin-2-ylamino)butan-2-yl]benzamide
CID 970701
N-[(2R)-3-methyl-1-oxo-1-(pyridin-2-ylamino)butan-2-yl]benzamide
CID 970702
2-chloro-N-pyridin-2-ylpropanamide
CID 16789014
2-amino-4-oxo-4-(pyridin-2-ylamino)butanoic acid
CID 115180971
(2S)-2-amino-4-methyl-N-[4-(pyridin-2-ylamino)butyl]pentanamide;dihydrochloride
CID 119874722
1-hydroxy-3-pyridin-2-ylurea
CID 20612761

Frequently Asked Questions

What is the IUPAC name of N-hydroxy-N'-[3-methyl-5-oxo-5-(pyridin-2-ylamino)pentyl]-3-(2-methylpropyl)-2-propan-2-ylbutanediamide?
The IUPAC name of N-hydroxy-N'-[3-methyl-5-oxo-5-(pyridin-2-ylamino)pentyl]-3-(2-methylpropyl)-2-propan-2-ylbutanediamide (CID 10342101) is N-hydroxy-N'-[3-methyl-5-oxo-5-(pyridin-2-ylamino)pentyl]-3-(2-methylpropyl)-2-propan-2-ylbutanediamide.
What is the SMILES notation for N-hydroxy-N'-[3-methyl-5-oxo-5-(pyridin-2-ylamino)pentyl]-3-(2-methylpropyl)-2-propan-2-ylbutanediamide?
The canonical SMILES for N-hydroxy-N'-[3-methyl-5-oxo-5-(pyridin-2-ylamino)pentyl]-3-(2-methylpropyl)-2-propan-2-ylbutanediamide is CC(C)CC(C(=O)NCCC(C)CC(=O)Nc1ccccn1)C(C(=O)NO)C(C)C.
What is the InChIKey of N-hydroxy-N'-[3-methyl-5-oxo-5-(pyridin-2-ylamino)pentyl]-3-(2-methylpropyl)-2-propan-2-ylbutanediamide?
The InChIKey is QSJOESDHKFYUTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H36N4O4/c1-14(2)12-17(20(15(3)4)22(29)26-30)21(28)24-11-9-16(5)13-19(27)25-18-8-6-7-10-23-18/h6-8,10,14-17,20,30H,9,11-13H2,1-5H3,(H,24,28)(H,26,29)(H,23,25,27).
What are the key properties of N-hydroxy-N'-[3-methyl-5-oxo-5-(pyridin-2-ylamino)pentyl]-3-(2-methylpropyl)-2-propan-2-ylbutanediamide?
N-hydroxy-N'-[3-methyl-5-oxo-5-(pyridin-2-ylamino)pentyl]-3-(2-methylpropyl)-2-propan-2-ylbutanediamide has a molecular weight of 420.55 g/mol, XLogP of 2.99, 12 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-N'-[3-methyl-5-oxo-5-(pyridin-2-ylamino)pentyl]-3-(2-methylpropyl)-2-propan-2-ylbutanediamide is sourced from PubChem (CID 10342101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).