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

C24H29N5O3 — CID 156776134

IUPACN-[7-(hydroxyamino)-7-oxoheptyl]-5-pyridin-2-yl-3,4-dihydro-1H-pyrido[4,3-b]indole-2-carboxamide
SMILESO=C(CCCCCCNC(=O)N1CCc2c(c3ccccc3n2-c2ccccn2)C1)NO
InChIInChI=1S/C24H29N5O3/c30-23(27-32)12-3-1-2-7-15-26-24(31)28-16-13-21-19(17-28)18-9-4-5-10-20(18)29(21)22-11-6-8-14-25-22/h4-6,8-11,14,32H,1-3,7,12-13,15-17H2,(H,26,31)(H,27,30)
InChIKeyXMPSONJTUVQRNT-UHFFFAOYSA-N
MW435.53 g/mol
LogP3.55
Rot. Bonds8

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

N-[7-(hydroxyamino)-7-oxoheptyl]-5-pyridin-2-yl-3,4-dihydro-1H-pyrido[4,3-b]indole-2-carboxamide (PubChem CID 156776134) has the molecular formula C24H29N5O3 and a molecular weight of 435.53 g/mol. Its IUPAC name is N-[7-(hydroxyamino)-7-oxoheptyl]-5-pyridin-2-yl-3,4-dihydro-1H-pyrido[4,3-b]indole-2-carboxamide.

Molecular Properties

Compound NameN-[7-(hydroxyamino)-7-oxoheptyl]-5-pyridin-2-yl-3,4-dihydro-1H-pyrido[4,3-b]indole-2-carboxamide
PubChem CID156776134
Molecular FormulaC24H29N5O3
Molecular Weight435.53 g/mol
Exact Mass435.23
IUPAC NameN-[7-(hydroxyamino)-7-oxoheptyl]-5-pyridin-2-yl-3,4-dihydro-1H-pyrido[4,3-b]indole-2-carboxamide
SMILESO=C(CCCCCCNC(=O)N1CCc2c(c3ccccc3n2-c2ccccn2)C1)NO
InChIInChI=1S/C24H29N5O3/c30-23(27-32)12-3-1-2-7-15-26-24(31)28-16-13-21-19(17-28)18-9-4-5-10-20(18)29(21)22-11-6-8-14-25-22/h4-6,8-11,14,32H,1-3,7,12-13,15-17H2,(H,26,31)(H,27,30)
InChIKeyXMPSONJTUVQRNT-UHFFFAOYSA-N
XLogP3.55
TPSA99.49 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.53
LogP ≤ 53.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'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-pyridin-2-yl-3,4-dihydro-1H-pyrido[4,3-b]indole-2-carboxamide?
The IUPAC name of N-[7-(hydroxyamino)-7-oxoheptyl]-5-pyridin-2-yl-3,4-dihydro-1H-pyrido[4,3-b]indole-2-carboxamide (CID 156776134) is N-[7-(hydroxyamino)-7-oxoheptyl]-5-pyridin-2-yl-3,4-dihydro-1H-pyrido[4,3-b]indole-2-carboxamide.
What is the SMILES notation for N-[7-(hydroxyamino)-7-oxoheptyl]-5-pyridin-2-yl-3,4-dihydro-1H-pyrido[4,3-b]indole-2-carboxamide?
The canonical SMILES for N-[7-(hydroxyamino)-7-oxoheptyl]-5-pyridin-2-yl-3,4-dihydro-1H-pyrido[4,3-b]indole-2-carboxamide is O=C(CCCCCCNC(=O)N1CCc2c(c3ccccc3n2-c2ccccn2)C1)NO.
What is the InChIKey of N-[7-(hydroxyamino)-7-oxoheptyl]-5-pyridin-2-yl-3,4-dihydro-1H-pyrido[4,3-b]indole-2-carboxamide?
The InChIKey is XMPSONJTUVQRNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N5O3/c30-23(27-32)12-3-1-2-7-15-26-24(31)28-16-13-21-19(17-28)18-9-4-5-10-20(18)29(21)22-11-6-8-14-25-22/h4-6,8-11,14,32H,1-3,7,12-13,15-17H2,(H,26,31)(H,27,30).
What are the key properties of N-[7-(hydroxyamino)-7-oxoheptyl]-5-pyridin-2-yl-3,4-dihydro-1H-pyrido[4,3-b]indole-2-carboxamide?
N-[7-(hydroxyamino)-7-oxoheptyl]-5-pyridin-2-yl-3,4-dihydro-1H-pyrido[4,3-b]indole-2-carboxamide has a molecular weight of 435.53 g/mol, XLogP of 3.55, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[7-(hydroxyamino)-7-oxoheptyl]-5-pyridin-2-yl-3,4-dihydro-1H-pyrido[4,3-b]indole-2-carboxamide is sourced from PubChem (CID 156776134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).