1-[4-[9-(3-hydroxypropylamino)-5,6,7,8-tetrahydroacridin-3-yl]-2-pyridinyl]cyclopropane-1-carboxamide

C25H28N4O2 — CID 175777015

IUPAC1-[4-[9-(3-hydroxypropylamino)-5,6,7,8-tetrahydroacridin-3-yl]-2-pyridinyl]cyclopropane-1-carboxamide
SMILESNC(=O)C1(c2cc(-c3ccc4c(NCCCO)c5c(nc4c3)CCCC5)ccn2)CC1
InChIInChI=1S/C25H28N4O2/c26-24(31)25(9-10-25)22-15-17(8-12-27-22)16-6-7-19-21(14-16)29-20-5-2-1-4-18(20)23(19)28-11-3-13-30/h6-8,12,14-15,30H,1-5,9-11,13H2,(H2,26,31)(H,28,29)
InChIKeyVNPZVXVVHVOJBI-UHFFFAOYSA-N
MW416.53 g/mol
LogP3.49
Rot. Bonds7

About 1-[4-[9-(3-hydroxypropylamino)-5,6,7,8-tetrahydroacridin-3-yl]-2-pyridinyl]cyclopropane-1-carboxamide

1-[4-[9-(3-hydroxypropylamino)-5,6,7,8-tetrahydroacridin-3-yl]-2-pyridinyl]cyclopropane-1-carboxamide (PubChem CID 175777015) has the molecular formula C25H28N4O2 and a molecular weight of 416.53 g/mol. Its IUPAC name is 1-[4-[9-(3-hydroxypropylamino)-5,6,7,8-tetrahydroacridin-3-yl]-2-pyridinyl]cyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-[4-[9-(3-hydroxypropylamino)-5,6,7,8-tetrahydroacridin-3-yl]-2-pyridinyl]cyclopropane-1-carboxamide
PubChem CID175777015
Molecular FormulaC25H28N4O2
Molecular Weight416.53 g/mol
Exact Mass416.22
IUPAC Name1-[4-[9-(3-hydroxypropylamino)-5,6,7,8-tetrahydroacridin-3-yl]-2-pyridinyl]cyclopropane-1-carboxamide
SMILESNC(=O)C1(c2cc(-c3ccc4c(NCCCO)c5c(nc4c3)CCCC5)ccn2)CC1
InChIInChI=1S/C25H28N4O2/c26-24(31)25(9-10-25)22-15-17(8-12-27-22)16-6-7-19-21(14-16)29-20-5-2-1-4-18(20)23(19)28-11-3-13-30/h6-8,12,14-15,30H,1-5,9-11,13H2,(H2,26,31)(H,28,29)
InChIKeyVNPZVXVVHVOJBI-UHFFFAOYSA-N
XLogP3.49
TPSA101.13 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.53
LogP ≤ 53.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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 1-[4-[9-(3-hydroxypropylamino)-5,6,7,8-tetrahydroacridin-3-yl]-2-pyridinyl]cyclopropane-1-carboxamide?
The IUPAC name of 1-[4-[9-(3-hydroxypropylamino)-5,6,7,8-tetrahydroacridin-3-yl]-2-pyridinyl]cyclopropane-1-carboxamide (CID 175777015) is 1-[4-[9-(3-hydroxypropylamino)-5,6,7,8-tetrahydroacridin-3-yl]-2-pyridinyl]cyclopropane-1-carboxamide.
What is the SMILES notation for 1-[4-[9-(3-hydroxypropylamino)-5,6,7,8-tetrahydroacridin-3-yl]-2-pyridinyl]cyclopropane-1-carboxamide?
The canonical SMILES for 1-[4-[9-(3-hydroxypropylamino)-5,6,7,8-tetrahydroacridin-3-yl]-2-pyridinyl]cyclopropane-1-carboxamide is NC(=O)C1(c2cc(-c3ccc4c(NCCCO)c5c(nc4c3)CCCC5)ccn2)CC1.
What is the InChIKey of 1-[4-[9-(3-hydroxypropylamino)-5,6,7,8-tetrahydroacridin-3-yl]-2-pyridinyl]cyclopropane-1-carboxamide?
The InChIKey is VNPZVXVVHVOJBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N4O2/c26-24(31)25(9-10-25)22-15-17(8-12-27-22)16-6-7-19-21(14-16)29-20-5-2-1-4-18(20)23(19)28-11-3-13-30/h6-8,12,14-15,30H,1-5,9-11,13H2,(H2,26,31)(H,28,29).
What are the key properties of 1-[4-[9-(3-hydroxypropylamino)-5,6,7,8-tetrahydroacridin-3-yl]-2-pyridinyl]cyclopropane-1-carboxamide?
1-[4-[9-(3-hydroxypropylamino)-5,6,7,8-tetrahydroacridin-3-yl]-2-pyridinyl]cyclopropane-1-carboxamide has a molecular weight of 416.53 g/mol, XLogP of 3.49, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[9-(3-hydroxypropylamino)-5,6,7,8-tetrahydroacridin-3-yl]-2-pyridinyl]cyclopropane-1-carboxamide is sourced from PubChem (CID 175777015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).