N-[7-(hydroxyamino)-7-oxoheptyl]-5-methyl-3,4-dihydro-1H-pyrido[4,3-b]indole-2-carboxamide

C20H28N4O3 — CID 156776145

IUPACN-[7-(hydroxyamino)-7-oxoheptyl]-5-methyl-3,4-dihydro-1H-pyrido[4,3-b]indole-2-carboxamide
SMILESCn1c2c(c3ccccc31)CN(C(=O)NCCCCCCC(=O)NO)CC2
InChIInChI=1S/C20H28N4O3/c1-23-17-9-6-5-8-15(17)16-14-24(13-11-18(16)23)20(26)21-12-7-3-2-4-10-19(25)22-27/h5-6,8-9,27H,2-4,7,10-14H2,1H3,(H,21,26)(H,22,25)
InChIKeyQRXDQVJFASALHM-UHFFFAOYSA-N
MW372.47 g/mol
LogP2.70
Rot. Bonds7

About N-[7-(hydroxyamino)-7-oxoheptyl]-5-methyl-3,4-dihydro-1H-pyrido[4,3-b]indole-2-carboxamide

N-[7-(hydroxyamino)-7-oxoheptyl]-5-methyl-3,4-dihydro-1H-pyrido[4,3-b]indole-2-carboxamide (PubChem CID 156776145) has the molecular formula C20H28N4O3 and a molecular weight of 372.47 g/mol. Its IUPAC name is N-[7-(hydroxyamino)-7-oxoheptyl]-5-methyl-3,4-dihydro-1H-pyrido[4,3-b]indole-2-carboxamide.

Molecular Properties

Compound NameN-[7-(hydroxyamino)-7-oxoheptyl]-5-methyl-3,4-dihydro-1H-pyrido[4,3-b]indole-2-carboxamide
PubChem CID156776145
Molecular FormulaC20H28N4O3
Molecular Weight372.47 g/mol
Exact Mass372.22
IUPAC NameN-[7-(hydroxyamino)-7-oxoheptyl]-5-methyl-3,4-dihydro-1H-pyrido[4,3-b]indole-2-carboxamide
SMILESCn1c2c(c3ccccc31)CN(C(=O)NCCCCCCC(=O)NO)CC2
InChIInChI=1S/C20H28N4O3/c1-23-17-9-6-5-8-15(17)16-14-24(13-11-18(16)23)20(26)21-12-7-3-2-4-10-19(25)22-27/h5-6,8-9,27H,2-4,7,10-14H2,1H3,(H,21,26)(H,22,25)
InChIKeyQRXDQVJFASALHM-UHFFFAOYSA-N
XLogP2.70
TPSA86.60 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.47
LogP ≤ 52.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', '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-[7-(hydroxyamino)-7-oxoheptyl]-5-methyl-3,4-dihydro-1H-pyrido[4,3-b]indole-2-carboxamide?
The IUPAC name of N-[7-(hydroxyamino)-7-oxoheptyl]-5-methyl-3,4-dihydro-1H-pyrido[4,3-b]indole-2-carboxamide (CID 156776145) is N-[7-(hydroxyamino)-7-oxoheptyl]-5-methyl-3,4-dihydro-1H-pyrido[4,3-b]indole-2-carboxamide.
What is the SMILES notation for N-[7-(hydroxyamino)-7-oxoheptyl]-5-methyl-3,4-dihydro-1H-pyrido[4,3-b]indole-2-carboxamide?
The canonical SMILES for N-[7-(hydroxyamino)-7-oxoheptyl]-5-methyl-3,4-dihydro-1H-pyrido[4,3-b]indole-2-carboxamide is Cn1c2c(c3ccccc31)CN(C(=O)NCCCCCCC(=O)NO)CC2.
What is the InChIKey of N-[7-(hydroxyamino)-7-oxoheptyl]-5-methyl-3,4-dihydro-1H-pyrido[4,3-b]indole-2-carboxamide?
The InChIKey is QRXDQVJFASALHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N4O3/c1-23-17-9-6-5-8-15(17)16-14-24(13-11-18(16)23)20(26)21-12-7-3-2-4-10-19(25)22-27/h5-6,8-9,27H,2-4,7,10-14H2,1H3,(H,21,26)(H,22,25).
What are the key properties of N-[7-(hydroxyamino)-7-oxoheptyl]-5-methyl-3,4-dihydro-1H-pyrido[4,3-b]indole-2-carboxamide?
N-[7-(hydroxyamino)-7-oxoheptyl]-5-methyl-3,4-dihydro-1H-pyrido[4,3-b]indole-2-carboxamide has a molecular weight of 372.47 g/mol, XLogP of 2.70, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[7-(hydroxyamino)-7-oxoheptyl]-5-methyl-3,4-dihydro-1H-pyrido[4,3-b]indole-2-carboxamide is sourced from PubChem (CID 156776145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).