4-[[2-(3-amino-3-oxopropyl)-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl]methyl]-N-hydroxybenzamide

C22H24N4O3 — CID 50898756

IUPAC4-[[2-(3-amino-3-oxopropyl)-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl]methyl]-N-hydroxybenzamide
SMILESNC(=O)CCN1CCc2c(c3ccccc3n2Cc2ccc(C(=O)NO)cc2)C1
InChIInChI=1S/C22H24N4O3/c23-21(27)10-12-25-11-9-20-18(14-25)17-3-1-2-4-19(17)26(20)13-15-5-7-16(8-6-15)22(28)24-29/h1-8,29H,9-14H2,(H2,23,27)(H,24,28)
InChIKeyXMGCUYASPMBGEV-UHFFFAOYSA-N
MW392.46 g/mol
LogP2.04
Rot. Bonds6

About 4-[[2-(3-amino-3-oxopropyl)-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl]methyl]-N-hydroxybenzamide

4-[[2-(3-amino-3-oxopropyl)-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl]methyl]-N-hydroxybenzamide (PubChem CID 50898756) has the molecular formula C22H24N4O3 and a molecular weight of 392.46 g/mol. Its IUPAC name is 4-[[2-(3-amino-3-oxopropyl)-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl]methyl]-N-hydroxybenzamide.

Molecular Properties

Compound Name4-[[2-(3-amino-3-oxopropyl)-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl]methyl]-N-hydroxybenzamide
PubChem CID50898756
Molecular FormulaC22H24N4O3
Molecular Weight392.46 g/mol
Exact Mass392.18
IUPAC Name4-[[2-(3-amino-3-oxopropyl)-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl]methyl]-N-hydroxybenzamide
SMILESNC(=O)CCN1CCc2c(c3ccccc3n2Cc2ccc(C(=O)NO)cc2)C1
InChIInChI=1S/C22H24N4O3/c23-21(27)10-12-25-11-9-20-18(14-25)17-3-1-2-4-19(17)26(20)13-15-5-7-16(8-6-15)22(28)24-29/h1-8,29H,9-14H2,(H2,23,27)(H,24,28)
InChIKeyXMGCUYASPMBGEV-UHFFFAOYSA-N
XLogP2.04
TPSA100.59 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.46
LogP ≤ 52.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', '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 4-[[2-(3-amino-3-oxopropyl)-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl]methyl]-N-hydroxybenzamide?
The IUPAC name of 4-[[2-(3-amino-3-oxopropyl)-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl]methyl]-N-hydroxybenzamide (CID 50898756) is 4-[[2-(3-amino-3-oxopropyl)-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl]methyl]-N-hydroxybenzamide.
What is the SMILES notation for 4-[[2-(3-amino-3-oxopropyl)-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl]methyl]-N-hydroxybenzamide?
The canonical SMILES for 4-[[2-(3-amino-3-oxopropyl)-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl]methyl]-N-hydroxybenzamide is NC(=O)CCN1CCc2c(c3ccccc3n2Cc2ccc(C(=O)NO)cc2)C1.
What is the InChIKey of 4-[[2-(3-amino-3-oxopropyl)-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl]methyl]-N-hydroxybenzamide?
The InChIKey is XMGCUYASPMBGEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O3/c23-21(27)10-12-25-11-9-20-18(14-25)17-3-1-2-4-19(17)26(20)13-15-5-7-16(8-6-15)22(28)24-29/h1-8,29H,9-14H2,(H2,23,27)(H,24,28).
What are the key properties of 4-[[2-(3-amino-3-oxopropyl)-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl]methyl]-N-hydroxybenzamide?
4-[[2-(3-amino-3-oxopropyl)-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl]methyl]-N-hydroxybenzamide has a molecular weight of 392.46 g/mol, XLogP of 2.04, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(3-amino-3-oxopropyl)-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl]methyl]-N-hydroxybenzamide is sourced from PubChem (CID 50898756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).