N-hydroxy-6-[(8-methoxy-2-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)methyl]pyridine-3-carboxamide

C20H22N4O3 — CID 164614207

IUPACN-hydroxy-6-[(8-methoxy-2-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)methyl]pyridine-3-carboxamide
SMILESCOc1ccc2c(c1)c1c(n2Cc2ccc(C(=O)NO)cn2)CCN(C)C1
InChIInChI=1S/C20H22N4O3/c1-23-8-7-19-17(12-23)16-9-15(27-2)5-6-18(16)24(19)11-14-4-3-13(10-21-14)20(25)22-26/h3-6,9-10,26H,7-8,11-12H2,1-2H3,(H,22,25)
InChIKeyKEPVJPHCAMABIW-UHFFFAOYSA-N
MW366.42 g/mol
LogP2.20
Rot. Bonds4

About N-hydroxy-6-[(8-methoxy-2-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)methyl]pyridine-3-carboxamide

N-hydroxy-6-[(8-methoxy-2-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)methyl]pyridine-3-carboxamide (PubChem CID 164614207) has the molecular formula C20H22N4O3 and a molecular weight of 366.42 g/mol. Its IUPAC name is N-hydroxy-6-[(8-methoxy-2-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)methyl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-hydroxy-6-[(8-methoxy-2-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)methyl]pyridine-3-carboxamide
PubChem CID164614207
Molecular FormulaC20H22N4O3
Molecular Weight366.42 g/mol
Exact Mass366.17
IUPAC NameN-hydroxy-6-[(8-methoxy-2-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)methyl]pyridine-3-carboxamide
SMILESCOc1ccc2c(c1)c1c(n2Cc2ccc(C(=O)NO)cn2)CCN(C)C1
InChIInChI=1S/C20H22N4O3/c1-23-8-7-19-17(12-23)16-9-15(27-2)5-6-18(16)24(19)11-14-4-3-13(10-21-14)20(25)22-26/h3-6,9-10,26H,7-8,11-12H2,1-2H3,(H,22,25)
InChIKeyKEPVJPHCAMABIW-UHFFFAOYSA-N
XLogP2.20
TPSA79.62 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.42
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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 N-hydroxy-6-[(8-methoxy-2-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)methyl]pyridine-3-carboxamide?
The IUPAC name of N-hydroxy-6-[(8-methoxy-2-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)methyl]pyridine-3-carboxamide (CID 164614207) is N-hydroxy-6-[(8-methoxy-2-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)methyl]pyridine-3-carboxamide.
What is the SMILES notation for N-hydroxy-6-[(8-methoxy-2-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)methyl]pyridine-3-carboxamide?
The canonical SMILES for N-hydroxy-6-[(8-methoxy-2-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)methyl]pyridine-3-carboxamide is COc1ccc2c(c1)c1c(n2Cc2ccc(C(=O)NO)cn2)CCN(C)C1.
What is the InChIKey of N-hydroxy-6-[(8-methoxy-2-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)methyl]pyridine-3-carboxamide?
The InChIKey is KEPVJPHCAMABIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O3/c1-23-8-7-19-17(12-23)16-9-15(27-2)5-6-18(16)24(19)11-14-4-3-13(10-21-14)20(25)22-26/h3-6,9-10,26H,7-8,11-12H2,1-2H3,(H,22,25).
What are the key properties of N-hydroxy-6-[(8-methoxy-2-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)methyl]pyridine-3-carboxamide?
N-hydroxy-6-[(8-methoxy-2-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)methyl]pyridine-3-carboxamide has a molecular weight of 366.42 g/mol, XLogP of 2.20, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-6-[(8-methoxy-2-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)methyl]pyridine-3-carboxamide is sourced from PubChem (CID 164614207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).