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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Related Compounds

N-(2-hydroxyethyl)-2-[[7-methoxy-3-[2-(methylamino)pyrimidin-4-yl]naphthalen-1-yl]amino]acetamide
CID 53257948
2-[[7-methoxy-3-[2-(methylamino)pyrimidin-4-yl]naphthalen-1-yl]amino]-N-(3-morpholin-4-ylpropyl)acetamide
CID 67493734
2-amino-6-(diethylamino)-N-[7-methoxy-3-[2-(methylamino)pyrimidin-4-yl]naphthalen-1-yl]hexanamide
CID 67307532
2-[(3-hydroxy-2,2-dimethylpropyl)amino]-N-[7-methoxy-3-[2-(methylamino)pyrimidin-4-yl]naphthalen-1-yl]acetamide
CID 53258879
2-chloro-N-[7-methoxy-3-(2-methylpyrimidin-4-yl)naphthalen-1-yl]acetamide
CID 123395128
3-[[7-methoxy-3-[2-(methylamino)pyrimidin-4-yl]naphthalen-1-yl]amino]pyrrolidine-1-carboxylic acid
CID 123573558
4-(6-methoxynaphthalen-2-yl)-N-methylpyrimidin-2-amine
CID 116900581
[3-[2-[2-(3,4-dimethoxyphenyl)ethylamino]pyrimidin-4-yl]-7-methoxynaphthalen-1-yl]carbamic acid
CID 67493714
N',N'-diethyl-N-(4-ethyl-6-methoxyquinolin-8-yl)hexane-1,6-diamine
CID 12529748
2-[(6-methoxyisoquinolin-1-yl)amino]-N-propylacetamide
CID 106537629
2-(2,5-dimethoxyanilino)-N-hexadecylacetamide
CID 54814998
N-[4-(diethylamino)butyl]-2-(7-methoxy-2-oxochromen-4-yl)acetamide;hydrochloride
CID 134111790

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).