N-hydroxy-4-[[2-(1-methyl-9H-pyrido[3,4-b]indole-3-carbonyl)hydrazinyl]methyl]benzamide

C21H19N5O3 — CID 86342534

IUPACN-hydroxy-4-[[2-(1-methyl-9H-pyrido[3,4-b]indole-3-carbonyl)hydrazinyl]methyl]benzamide
SMILESCc1nc(C(=O)NNCc2ccc(C(=O)NO)cc2)cc2c1[nH]c1ccccc12
InChIInChI=1S/C21H19N5O3/c1-12-19-16(15-4-2-3-5-17(15)24-19)10-18(23-12)21(28)25-22-11-13-6-8-14(9-7-13)20(27)26-29/h2-10,22,24,29H,11H2,1H3,(H,25,28)(H,26,27)
InChIKeyKZBLZVSTJFBHIG-UHFFFAOYSA-N
MW389.42 g/mol
LogP2.58
Rot. Bonds5

About N-hydroxy-4-[[2-(1-methyl-9H-pyrido[3,4-b]indole-3-carbonyl)hydrazinyl]methyl]benzamide

N-hydroxy-4-[[2-(1-methyl-9H-pyrido[3,4-b]indole-3-carbonyl)hydrazinyl]methyl]benzamide (PubChem CID 86342534) has the molecular formula C21H19N5O3 and a molecular weight of 389.42 g/mol. Its IUPAC name is N-hydroxy-4-[[2-(1-methyl-9H-pyrido[3,4-b]indole-3-carbonyl)hydrazinyl]methyl]benzamide.

Molecular Properties

Compound NameN-hydroxy-4-[[2-(1-methyl-9H-pyrido[3,4-b]indole-3-carbonyl)hydrazinyl]methyl]benzamide
PubChem CID86342534
Molecular FormulaC21H19N5O3
Molecular Weight389.42 g/mol
Exact Mass389.15
IUPAC NameN-hydroxy-4-[[2-(1-methyl-9H-pyrido[3,4-b]indole-3-carbonyl)hydrazinyl]methyl]benzamide
SMILESCc1nc(C(=O)NNCc2ccc(C(=O)NO)cc2)cc2c1[nH]c1ccccc12
InChIInChI=1S/C21H19N5O3/c1-12-19-16(15-4-2-3-5-17(15)24-19)10-18(23-12)21(28)25-22-11-13-6-8-14(9-7-13)20(27)26-29/h2-10,22,24,29H,11H2,1H3,(H,25,28)(H,26,27)
InChIKeyKZBLZVSTJFBHIG-UHFFFAOYSA-N
XLogP2.58
TPSA119.14 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.42
LogP ≤ 52.58
H-Bond Donors ≤ 55
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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Launch Full Analysis

Related Compounds

3-(4-hydroxyphenyl)-2-[(1-methyl-9H-pyrido[3,4-b]indole-3-carbonyl)amino]propanoic acid
CID 6217394
N-[1-[(4-methoxyphenyl)methylamino]-1-oxopropan-2-yl]-1-methyl-9H-pyrido[3,4-b]indole-3-carboxamide
CID 6217109
2-[(1-methyl-9H-pyrido[3,4-b]indole-3-carbonyl)amino]benzoic acid
CID 5409746
(3S)-3-[(1-methyl-9H-pyrido[3,4-b]indole-3-carbonyl)amino]-4-oxo-4-phenylmethoxybutanoic acid
CID 141093615
benzyl (3S)-3-amino-4-[2-(1-methyl-9H-pyrido[3,4-b]indole-3-carbonyl)hydrazinyl]-4-oxobutanoate
CID 57403192
1-methyl-N-[1-oxo-1-(1-phenylpropan-2-ylamino)propan-2-yl]-9H-pyrido[3,4-b]indole-3-carboxamide
CID 6235992
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-1-methyl-9H-pyrido[3,4-b]indole-3-carboxamide
CID 5408289
1-methyl-N-[5-(4-methylphenyl)-1,3,4-thiadiazol-2-yl]-9H-pyrido[3,4-b]indole-3-carboxamide
CID 6017118
2-[[2-[(1-methyl-9H-pyrido[3,4-b]indole-3-carbonyl)amino]-3-phenylpropanoyl]amino]propanoic acid
CID 6216968
N-[1-(3,5-dimethoxyanilino)-1-oxopropan-2-yl]-1-methyl-9H-pyrido[3,4-b]indole-3-carboxamide
CID 6217429
1-methyl-N-[4-(1,2,3,4-tetrahydroacridin-9-ylamino)butyl]-9H-pyrido[3,4-b]indole-3-carboxamide
CID 118717407
N-[(4-fluorophenyl)methyl]-1-(1H-indole-3-carbonyl)-9H-pyrido[3,4-b]indole-3-carboxamide
CID 155539998

Frequently Asked Questions

What is the IUPAC name of N-hydroxy-4-[[2-(1-methyl-9H-pyrido[3,4-b]indole-3-carbonyl)hydrazinyl]methyl]benzamide?
The IUPAC name of N-hydroxy-4-[[2-(1-methyl-9H-pyrido[3,4-b]indole-3-carbonyl)hydrazinyl]methyl]benzamide (CID 86342534) is N-hydroxy-4-[[2-(1-methyl-9H-pyrido[3,4-b]indole-3-carbonyl)hydrazinyl]methyl]benzamide.
What is the SMILES notation for N-hydroxy-4-[[2-(1-methyl-9H-pyrido[3,4-b]indole-3-carbonyl)hydrazinyl]methyl]benzamide?
The canonical SMILES for N-hydroxy-4-[[2-(1-methyl-9H-pyrido[3,4-b]indole-3-carbonyl)hydrazinyl]methyl]benzamide is Cc1nc(C(=O)NNCc2ccc(C(=O)NO)cc2)cc2c1[nH]c1ccccc12.
What is the InChIKey of N-hydroxy-4-[[2-(1-methyl-9H-pyrido[3,4-b]indole-3-carbonyl)hydrazinyl]methyl]benzamide?
The InChIKey is KZBLZVSTJFBHIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N5O3/c1-12-19-16(15-4-2-3-5-17(15)24-19)10-18(23-12)21(28)25-22-11-13-6-8-14(9-7-13)20(27)26-29/h2-10,22,24,29H,11H2,1H3,(H,25,28)(H,26,27).
What are the key properties of N-hydroxy-4-[[2-(1-methyl-9H-pyrido[3,4-b]indole-3-carbonyl)hydrazinyl]methyl]benzamide?
N-hydroxy-4-[[2-(1-methyl-9H-pyrido[3,4-b]indole-3-carbonyl)hydrazinyl]methyl]benzamide has a molecular weight of 389.42 g/mol, XLogP of 2.58, 5 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-4-[[2-(1-methyl-9H-pyrido[3,4-b]indole-3-carbonyl)hydrazinyl]methyl]benzamide is sourced from PubChem (CID 86342534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).