N-[[[3-[[[3-[[acetyl(hydroxy)amino]methylamino]-3-oxopropanoyl]-hydroxyamino]methylamino]-3-oxopropanoyl]-hydroxyamino]methyl]-N'-[(dipyridin-2-ylmethylideneamino)carbamoyl]butanediamide

C27H33N11O11 — CID 89019323

IUPACN-[[[3-[[[3-[[acetyl(hydroxy)amino]methylamino]-3-oxopropanoyl]-hydroxyamino]methylamino]-3-oxopropanoyl]-hydroxyamino]methyl]-N'-[(dipyridin-2-ylmethylideneamino)carbamoyl]butanediamide
SMILESCC(=O)N(O)CNC(=O)CC(=O)N(O)CNC(=O)CC(=O)N(O)CNC(=O)CCC(=O)NC(=O)NN=C(c1ccccn1)c1ccccn1
InChIInChI=1S/C27H33N11O11/c1-17(39)36(47)14-31-22(42)12-25(45)38(49)16-32-23(43)13-24(44)37(48)15-30-20(40)8-9-21(41)33-27(46)35-34-26(18-6-2-4-10-28-18)19-7-3-5-11-29-19/h2-7,10-11,47-49H,8-9,12-16H2,1H3,(H,30,40)(H,31,42)(H,32,43)(H2,33,35,41,46)
InChIKeyGAKRLSXBIGOSMQ-UHFFFAOYSA-N
MW687.63 g/mol
LogP-2.49
Rot. Bonds16

About N-[[[3-[[[3-[[acetyl(hydroxy)amino]methylamino]-3-oxopropanoyl]-hydroxyamino]methylamino]-3-oxopropanoyl]-hydroxyamino]methyl]-N'-[(dipyridin-2-ylmethylideneamino)carbamoyl]butanediamide

N-[[[3-[[[3-[[acetyl(hydroxy)amino]methylamino]-3-oxopropanoyl]-hydroxyamino]methylamino]-3-oxopropanoyl]-hydroxyamino]methyl]-N'-[(dipyridin-2-ylmethylideneamino)carbamoyl]butanediamide (PubChem CID 89019323) has the molecular formula C27H33N11O11 and a molecular weight of 687.63 g/mol. Its IUPAC name is N-[[[3-[[[3-[[acetyl(hydroxy)amino]methylamino]-3-oxopropanoyl]-hydroxyamino]methylamino]-3-oxopropanoyl]-hydroxyamino]methyl]-N'-[(dipyridin-2-ylmethylideneamino)carbamoyl]butanediamide.

Molecular Properties

Compound NameN-[[[3-[[[3-[[acetyl(hydroxy)amino]methylamino]-3-oxopropanoyl]-hydroxyamino]methylamino]-3-oxopropanoyl]-hydroxyamino]methyl]-N'-[(dipyridin-2-ylmethylideneamino)carbamoyl]butanediamide
PubChem CID89019323
Molecular FormulaC27H33N11O11
Molecular Weight687.63 g/mol
Exact Mass687.24
IUPAC NameN-[[[3-[[[3-[[acetyl(hydroxy)amino]methylamino]-3-oxopropanoyl]-hydroxyamino]methylamino]-3-oxopropanoyl]-hydroxyamino]methyl]-N'-[(dipyridin-2-ylmethylideneamino)carbamoyl]butanediamide
SMILESCC(=O)N(O)CNC(=O)CC(=O)N(O)CNC(=O)CC(=O)N(O)CNC(=O)CCC(=O)NC(=O)NN=C(c1ccccn1)c1ccccn1
InChIInChI=1S/C27H33N11O11/c1-17(39)36(47)14-31-22(42)12-25(45)38(49)16-32-23(43)13-24(44)37(48)15-30-20(40)8-9-21(41)33-27(46)35-34-26(18-6-2-4-10-28-18)19-7-3-5-11-29-19/h2-7,10-11,47-49H,8-9,12-16H2,1H3,(H,30,40)(H,31,42)(H,32,43)(H2,33,35,41,46)
InChIKeyGAKRLSXBIGOSMQ-UHFFFAOYSA-N
XLogP-2.49
TPSA305.26 Ų
H-Bond Donors8
H-Bond Acceptors14
Rotatable Bonds16
Heavy Atoms49
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500687.63
LogP ≤ 5-2.49
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1014

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N-[[[3-[[[3-[[acetyl(hydroxy)amino]methylamino]-3-oxopropanoyl]-hydroxyamino]methylamino]-3-oxopropanoyl]-hydroxyamino]methyl]-N'-[(dipyridin-2-ylmethylideneamino)carbamoyl]butanediamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[5-[[4-[5-[[4-[5-[acetyl(hydroxy)amino]pentylamino]-4-oxobutanoyl]-hydroxyamino]pentylamino]-4-oxobutanoyl]-hydroxyamino]pentyl]-N'-[(dipyridin-2-ylmethylideneamino)carbamothioyl]butanediamide
CID 42597236
N,N'-bis(1-pyridin-2-ylethylideneamino)pentanediamide
CID 4258546
bis(N-(dipyridin-2-ylmethylideneamino)-N'-methylcarbamimidothioate);manganese(2+)
CID 25193515
6-[(dipyridin-2-ylmethylideneamino)carbamoyl]pyridine-2-carboxylic acid
CID 102349803
4-amino-N-(dipyridin-2-ylmethylideneamino)benzamide
CID 5232709
ethyl N-[(Z)-[phenyl(pyridin-2-yl)methylidene]amino]carbamate
CID 6022033
N-(dipyridin-2-ylmethylideneamino)-3,4-dimethoxybenzamide
CID 162738459
4-(dimethylamino)-N-[(E)-[phenyl(pyridin-2-yl)methylidene]amino]benzamide
CID 6524785
trimethyl-[2-oxo-2-[(2E)-2-(1-pyridin-2-ylethylidene)hydrazinyl]ethyl]azanium
CID 15703229
methyl N-[[phenyl(pyridin-2-yl)methylidene]amino]carbamate
CID 5103078
4-methyl-N-[[phenyl(pyridin-2-yl)methylidene]amino]benzamide
CID 4586185
1-[2-(dimethylamino)ethyl]-3-(dipyridin-2-ylmethylideneamino)-1-methylthiourea
CID 58752142

Frequently Asked Questions

What is the IUPAC name of N-[[[3-[[[3-[[acetyl(hydroxy)amino]methylamino]-3-oxopropanoyl]-hydroxyamino]methylamino]-3-oxopropanoyl]-hydroxyamino]methyl]-N'-[(dipyridin-2-ylmethylideneamino)carbamoyl]butanediamide?
The IUPAC name of N-[[[3-[[[3-[[acetyl(hydroxy)amino]methylamino]-3-oxopropanoyl]-hydroxyamino]methylamino]-3-oxopropanoyl]-hydroxyamino]methyl]-N'-[(dipyridin-2-ylmethylideneamino)carbamoyl]butanediamide (CID 89019323) is N-[[[3-[[[3-[[acetyl(hydroxy)amino]methylamino]-3-oxopropanoyl]-hydroxyamino]methylamino]-3-oxopropanoyl]-hydroxyamino]methyl]-N'-[(dipyridin-2-ylmethylideneamino)carbamoyl]butanediamide.
What is the SMILES notation for N-[[[3-[[[3-[[acetyl(hydroxy)amino]methylamino]-3-oxopropanoyl]-hydroxyamino]methylamino]-3-oxopropanoyl]-hydroxyamino]methyl]-N'-[(dipyridin-2-ylmethylideneamino)carbamoyl]butanediamide?
The canonical SMILES for N-[[[3-[[[3-[[acetyl(hydroxy)amino]methylamino]-3-oxopropanoyl]-hydroxyamino]methylamino]-3-oxopropanoyl]-hydroxyamino]methyl]-N'-[(dipyridin-2-ylmethylideneamino)carbamoyl]butanediamide is CC(=O)N(O)CNC(=O)CC(=O)N(O)CNC(=O)CC(=O)N(O)CNC(=O)CCC(=O)NC(=O)NN=C(c1ccccn1)c1ccccn1.
What is the InChIKey of N-[[[3-[[[3-[[acetyl(hydroxy)amino]methylamino]-3-oxopropanoyl]-hydroxyamino]methylamino]-3-oxopropanoyl]-hydroxyamino]methyl]-N'-[(dipyridin-2-ylmethylideneamino)carbamoyl]butanediamide?
The InChIKey is GAKRLSXBIGOSMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H33N11O11/c1-17(39)36(47)14-31-22(42)12-25(45)38(49)16-32-23(43)13-24(44)37(48)15-30-20(40)8-9-21(41)33-27(46)35-34-26(18-6-2-4-10-28-18)19-7-3-5-11-29-19/h2-7,10-11,47-49H,8-9,12-16H2,1H3,(H,30,40)(H,31,42)(H,32,43)(H2,33,35,41,46).
What are the key properties of N-[[[3-[[[3-[[acetyl(hydroxy)amino]methylamino]-3-oxopropanoyl]-hydroxyamino]methylamino]-3-oxopropanoyl]-hydroxyamino]methyl]-N'-[(dipyridin-2-ylmethylideneamino)carbamoyl]butanediamide?
N-[[[3-[[[3-[[acetyl(hydroxy)amino]methylamino]-3-oxopropanoyl]-hydroxyamino]methylamino]-3-oxopropanoyl]-hydroxyamino]methyl]-N'-[(dipyridin-2-ylmethylideneamino)carbamoyl]butanediamide has a molecular weight of 687.63 g/mol, XLogP of -2.49, 16 rotatable bonds, 8 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[[3-[[[3-[[acetyl(hydroxy)amino]methylamino]-3-oxopropanoyl]-hydroxyamino]methylamino]-3-oxopropanoyl]-hydroxyamino]methyl]-N'-[(dipyridin-2-ylmethylideneamino)carbamoyl]butanediamide is sourced from PubChem (CID 89019323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).