N-hydroxy-N-[(2R)-2-[(9H-pyrido[3,4-b]indole-3-carbonylamino)carbamoyl]heptyl]formamide

C21H25N5O4 — CID 87928335

IUPACN-hydroxy-N-[(2R)-2-[(9H-pyrido[3,4-b]indole-3-carbonylamino)carbamoyl]heptyl]formamide
SMILESCCCCC[C@H](CN(O)C=O)C(=O)NNC(=O)c1cc2c(cn1)[nH]c1ccccc12
InChIInChI=1S/C21H25N5O4/c1-2-3-4-7-14(12-26(30)13-27)20(28)24-25-21(29)18-10-16-15-8-5-6-9-17(15)23-19(16)11-22-18/h5-6,8-11,13-14,23,30H,2-4,7,12H2,1H3,(H,24,28)(H,25,29)/t14-/m1/s1
InChIKeyNHLMNGCQMBZGSC-CQSZACIVSA-N
MW411.46 g/mol
LogP2.52
Rot. Bonds9

About N-hydroxy-N-[(2R)-2-[(9H-pyrido[3,4-b]indole-3-carbonylamino)carbamoyl]heptyl]formamide

N-hydroxy-N-[(2R)-2-[(9H-pyrido[3,4-b]indole-3-carbonylamino)carbamoyl]heptyl]formamide (PubChem CID 87928335) has the molecular formula C21H25N5O4 and a molecular weight of 411.46 g/mol. Its IUPAC name is N-hydroxy-N-[(2R)-2-[(9H-pyrido[3,4-b]indole-3-carbonylamino)carbamoyl]heptyl]formamide.

Molecular Properties

Compound NameN-hydroxy-N-[(2R)-2-[(9H-pyrido[3,4-b]indole-3-carbonylamino)carbamoyl]heptyl]formamide
PubChem CID87928335
Molecular FormulaC21H25N5O4
Molecular Weight411.46 g/mol
Exact Mass411.19
IUPAC NameN-hydroxy-N-[(2R)-2-[(9H-pyrido[3,4-b]indole-3-carbonylamino)carbamoyl]heptyl]formamide
SMILESCCCCC[C@H](CN(O)C=O)C(=O)NNC(=O)c1cc2c(cn1)[nH]c1ccccc12
InChIInChI=1S/C21H25N5O4/c1-2-3-4-7-14(12-26(30)13-27)20(28)24-25-21(29)18-10-16-15-8-5-6-9-17(15)23-19(16)11-22-18/h5-6,8-11,13-14,23,30H,2-4,7,12H2,1H3,(H,24,28)(H,25,29)/t14-/m1/s1
InChIKeyNHLMNGCQMBZGSC-CQSZACIVSA-N
XLogP2.52
TPSA127.42 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.46
LogP ≤ 52.52
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'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-hydroxy-N-[(2R)-2-[(9H-pyrido[3,4-b]indole-3-carbonylamino)carbamoyl]heptyl]formamide?
The IUPAC name of N-hydroxy-N-[(2R)-2-[(9H-pyrido[3,4-b]indole-3-carbonylamino)carbamoyl]heptyl]formamide (CID 87928335) is N-hydroxy-N-[(2R)-2-[(9H-pyrido[3,4-b]indole-3-carbonylamino)carbamoyl]heptyl]formamide.
What is the SMILES notation for N-hydroxy-N-[(2R)-2-[(9H-pyrido[3,4-b]indole-3-carbonylamino)carbamoyl]heptyl]formamide?
The canonical SMILES for N-hydroxy-N-[(2R)-2-[(9H-pyrido[3,4-b]indole-3-carbonylamino)carbamoyl]heptyl]formamide is CCCCC[C@H](CN(O)C=O)C(=O)NNC(=O)c1cc2c(cn1)[nH]c1ccccc12.
What is the InChIKey of N-hydroxy-N-[(2R)-2-[(9H-pyrido[3,4-b]indole-3-carbonylamino)carbamoyl]heptyl]formamide?
The InChIKey is NHLMNGCQMBZGSC-CQSZACIVSA-N. The full InChI is InChI=1S/C21H25N5O4/c1-2-3-4-7-14(12-26(30)13-27)20(28)24-25-21(29)18-10-16-15-8-5-6-9-17(15)23-19(16)11-22-18/h5-6,8-11,13-14,23,30H,2-4,7,12H2,1H3,(H,24,28)(H,25,29)/t14-/m1/s1.
What are the key properties of N-hydroxy-N-[(2R)-2-[(9H-pyrido[3,4-b]indole-3-carbonylamino)carbamoyl]heptyl]formamide?
N-hydroxy-N-[(2R)-2-[(9H-pyrido[3,4-b]indole-3-carbonylamino)carbamoyl]heptyl]formamide has a molecular weight of 411.46 g/mol, XLogP of 2.52, 9 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-N-[(2R)-2-[(9H-pyrido[3,4-b]indole-3-carbonylamino)carbamoyl]heptyl]formamide is sourced from PubChem (CID 87928335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).