N-[8-(1,2,3,4-tetrahydroacridin-9-ylamino)octyl]pyridine-4-carboxamide

C27H34N4O — CID 53304726

IUPACN-[8-(1,2,3,4-tetrahydroacridin-9-ylamino)octyl]pyridine-4-carboxamide
SMILESO=C(NCCCCCCCCNc1c2c(nc3ccccc13)CCCC2)c1ccncc1
InChIInChI=1S/C27H34N4O/c32-27(21-15-19-28-20-16-21)30-18-10-4-2-1-3-9-17-29-26-22-11-5-7-13-24(22)31-25-14-8-6-12-23(25)26/h5,7,11,13,15-16,19-20H,1-4,6,8-10,12,14,17-18H2,(H,29,31)(H,30,32)
InChIKeyDPSOIKALXFWJTR-UHFFFAOYSA-N
MW430.60 g/mol
LogP5.69
Rot. Bonds11

About N-[8-(1,2,3,4-tetrahydroacridin-9-ylamino)octyl]pyridine-4-carboxamide

N-[8-(1,2,3,4-tetrahydroacridin-9-ylamino)octyl]pyridine-4-carboxamide (PubChem CID 53304726) has the molecular formula C27H34N4O and a molecular weight of 430.60 g/mol. Its IUPAC name is N-[8-(1,2,3,4-tetrahydroacridin-9-ylamino)octyl]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[8-(1,2,3,4-tetrahydroacridin-9-ylamino)octyl]pyridine-4-carboxamide
PubChem CID53304726
Molecular FormulaC27H34N4O
Molecular Weight430.60 g/mol
Exact Mass430.27
IUPAC NameN-[8-(1,2,3,4-tetrahydroacridin-9-ylamino)octyl]pyridine-4-carboxamide
SMILESO=C(NCCCCCCCCNc1c2c(nc3ccccc13)CCCC2)c1ccncc1
InChIInChI=1S/C27H34N4O/c32-27(21-15-19-28-20-16-21)30-18-10-4-2-1-3-9-17-29-26-22-11-5-7-13-24(22)31-25-14-8-6-12-23(25)26/h5,7,11,13,15-16,19-20H,1-4,6,8-10,12,14,17-18H2,(H,29,31)(H,30,32)
InChIKeyDPSOIKALXFWJTR-UHFFFAOYSA-N
XLogP5.69
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500430.60
LogP ≤ 55.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[8-(1,2,3,4-tetrahydroacridin-9-ylamino)octyl]pyridine-4-carboxamide?
The IUPAC name of N-[8-(1,2,3,4-tetrahydroacridin-9-ylamino)octyl]pyridine-4-carboxamide (CID 53304726) is N-[8-(1,2,3,4-tetrahydroacridin-9-ylamino)octyl]pyridine-4-carboxamide.
What is the SMILES notation for N-[8-(1,2,3,4-tetrahydroacridin-9-ylamino)octyl]pyridine-4-carboxamide?
The canonical SMILES for N-[8-(1,2,3,4-tetrahydroacridin-9-ylamino)octyl]pyridine-4-carboxamide is O=C(NCCCCCCCCNc1c2c(nc3ccccc13)CCCC2)c1ccncc1.
What is the InChIKey of N-[8-(1,2,3,4-tetrahydroacridin-9-ylamino)octyl]pyridine-4-carboxamide?
The InChIKey is DPSOIKALXFWJTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H34N4O/c32-27(21-15-19-28-20-16-21)30-18-10-4-2-1-3-9-17-29-26-22-11-5-7-13-24(22)31-25-14-8-6-12-23(25)26/h5,7,11,13,15-16,19-20H,1-4,6,8-10,12,14,17-18H2,(H,29,31)(H,30,32).
What are the key properties of N-[8-(1,2,3,4-tetrahydroacridin-9-ylamino)octyl]pyridine-4-carboxamide?
N-[8-(1,2,3,4-tetrahydroacridin-9-ylamino)octyl]pyridine-4-carboxamide has a molecular weight of 430.60 g/mol, XLogP of 5.69, 11 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[8-(1,2,3,4-tetrahydroacridin-9-ylamino)octyl]pyridine-4-carboxamide is sourced from PubChem (CID 53304726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).