N-[4-(diethylamino)butyl]-2-[[7-methoxy-3-[2-(methylamino)pyrimidin-4-yl]naphthalen-1-yl]amino]acetamide

C26H36N6O2 — CID 67493925

IUPACN-[4-(diethylamino)butyl]-2-[[7-methoxy-3-[2-(methylamino)pyrimidin-4-yl]naphthalen-1-yl]amino]acetamide
SMILESCCN(CC)CCCCNC(=O)CNc1cc(-c2ccnc(NC)n2)cc2ccc(OC)cc12
InChIInChI=1S/C26H36N6O2/c1-5-32(6-2)14-8-7-12-28-25(33)18-30-24-16-20(23-11-13-29-26(27-3)31-23)15-19-9-10-21(34-4)17-22(19)24/h9-11,13,15-17,30H,5-8,12,14,18H2,1-4H3,(H,28,33)(H,27,29,31)
InChIKeyHOSZNNGAEJCFMQ-UHFFFAOYSA-N
MW464.61 g/mol
LogP4.00
Rot. Bonds13

About N-[4-(diethylamino)butyl]-2-[[7-methoxy-3-[2-(methylamino)pyrimidin-4-yl]naphthalen-1-yl]amino]acetamide

N-[4-(diethylamino)butyl]-2-[[7-methoxy-3-[2-(methylamino)pyrimidin-4-yl]naphthalen-1-yl]amino]acetamide (PubChem CID 67493925) has the molecular formula C26H36N6O2 and a molecular weight of 464.61 g/mol. Its IUPAC name is N-[4-(diethylamino)butyl]-2-[[7-methoxy-3-[2-(methylamino)pyrimidin-4-yl]naphthalen-1-yl]amino]acetamide.

Molecular Properties

Compound NameN-[4-(diethylamino)butyl]-2-[[7-methoxy-3-[2-(methylamino)pyrimidin-4-yl]naphthalen-1-yl]amino]acetamide
PubChem CID67493925
Molecular FormulaC26H36N6O2
Molecular Weight464.61 g/mol
Exact Mass464.29
IUPAC NameN-[4-(diethylamino)butyl]-2-[[7-methoxy-3-[2-(methylamino)pyrimidin-4-yl]naphthalen-1-yl]amino]acetamide
SMILESCCN(CC)CCCCNC(=O)CNc1cc(-c2ccnc(NC)n2)cc2ccc(OC)cc12
InChIInChI=1S/C26H36N6O2/c1-5-32(6-2)14-8-7-12-28-25(33)18-30-24-16-20(23-11-13-29-26(27-3)31-23)15-19-9-10-21(34-4)17-22(19)24/h9-11,13,15-17,30H,5-8,12,14,18H2,1-4H3,(H,28,33)(H,27,29,31)
InChIKeyHOSZNNGAEJCFMQ-UHFFFAOYSA-N
XLogP4.00
TPSA91.41 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds13
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.61
LogP ≤ 54.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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-[4-(diethylamino)butyl]-2-[[7-methoxy-3-[2-(methylamino)pyrimidin-4-yl]naphthalen-1-yl]amino]acetamide?
The IUPAC name of N-[4-(diethylamino)butyl]-2-[[7-methoxy-3-[2-(methylamino)pyrimidin-4-yl]naphthalen-1-yl]amino]acetamide (CID 67493925) is N-[4-(diethylamino)butyl]-2-[[7-methoxy-3-[2-(methylamino)pyrimidin-4-yl]naphthalen-1-yl]amino]acetamide.
What is the SMILES notation for N-[4-(diethylamino)butyl]-2-[[7-methoxy-3-[2-(methylamino)pyrimidin-4-yl]naphthalen-1-yl]amino]acetamide?
The canonical SMILES for N-[4-(diethylamino)butyl]-2-[[7-methoxy-3-[2-(methylamino)pyrimidin-4-yl]naphthalen-1-yl]amino]acetamide is CCN(CC)CCCCNC(=O)CNc1cc(-c2ccnc(NC)n2)cc2ccc(OC)cc12.
What is the InChIKey of N-[4-(diethylamino)butyl]-2-[[7-methoxy-3-[2-(methylamino)pyrimidin-4-yl]naphthalen-1-yl]amino]acetamide?
The InChIKey is HOSZNNGAEJCFMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H36N6O2/c1-5-32(6-2)14-8-7-12-28-25(33)18-30-24-16-20(23-11-13-29-26(27-3)31-23)15-19-9-10-21(34-4)17-22(19)24/h9-11,13,15-17,30H,5-8,12,14,18H2,1-4H3,(H,28,33)(H,27,29,31).
What are the key properties of N-[4-(diethylamino)butyl]-2-[[7-methoxy-3-[2-(methylamino)pyrimidin-4-yl]naphthalen-1-yl]amino]acetamide?
N-[4-(diethylamino)butyl]-2-[[7-methoxy-3-[2-(methylamino)pyrimidin-4-yl]naphthalen-1-yl]amino]acetamide has a molecular weight of 464.61 g/mol, XLogP of 4.00, 13 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(diethylamino)butyl]-2-[[7-methoxy-3-[2-(methylamino)pyrimidin-4-yl]naphthalen-1-yl]amino]acetamide is sourced from PubChem (CID 67493925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).