2-ethoxy-N-[2-[(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)amino]ethyl]naphthalene-1-carboxamide

C24H29N5O3 — CID 122294106

IUPAC2-ethoxy-N-[2-[(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)amino]ethyl]naphthalene-1-carboxamide
SMILESCCOc1ccc2ccccc2c1C(=O)NCCNc1cc(N2CCOCC2)nc(C)n1
InChIInChI=1S/C24H29N5O3/c1-3-32-20-9-8-18-6-4-5-7-19(18)23(20)24(30)26-11-10-25-21-16-22(28-17(2)27-21)29-12-14-31-15-13-29/h4-9,16H,3,10-15H2,1-2H3,(H,26,30)(H,25,27,28)
InChIKeyBWQVRQLQHOAMPP-UHFFFAOYSA-N
MW435.53 g/mol
LogP3.02
Rot. Bonds8

About 2-ethoxy-N-[2-[(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)amino]ethyl]naphthalene-1-carboxamide

2-ethoxy-N-[2-[(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)amino]ethyl]naphthalene-1-carboxamide (PubChem CID 122294106) has the molecular formula C24H29N5O3 and a molecular weight of 435.53 g/mol. Its IUPAC name is 2-ethoxy-N-[2-[(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)amino]ethyl]naphthalene-1-carboxamide.

Molecular Properties

Compound Name2-ethoxy-N-[2-[(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)amino]ethyl]naphthalene-1-carboxamide
PubChem CID122294106
Molecular FormulaC24H29N5O3
Molecular Weight435.53 g/mol
Exact Mass435.23
IUPAC Name2-ethoxy-N-[2-[(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)amino]ethyl]naphthalene-1-carboxamide
SMILESCCOc1ccc2ccccc2c1C(=O)NCCNc1cc(N2CCOCC2)nc(C)n1
InChIInChI=1S/C24H29N5O3/c1-3-32-20-9-8-18-6-4-5-7-19(18)23(20)24(30)26-11-10-25-21-16-22(28-17(2)27-21)29-12-14-31-15-13-29/h4-9,16H,3,10-15H2,1-2H3,(H,26,30)(H,25,27,28)
InChIKeyBWQVRQLQHOAMPP-UHFFFAOYSA-N
XLogP3.02
TPSA88.61 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.53
LogP ≤ 53.02
H-Bond Donors ≤ 52
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-[(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)amino]ethyl]naphthalene-1-carboxamide
CID 50945106
2-ethoxy-N-[2-[(6-pyrrolidin-1-ylpyrimidin-4-yl)amino]ethyl]naphthalene-1-carboxamide
CID 122327552
4-ethoxy-N-[2-[(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)amino]ethyl]benzamide
CID 50945333
2-ethoxy-N-[2-(2-methyl-6-pyrrolidin-1-ylpyrimidin-4-yl)oxyethyl]naphthalene-1-carboxamide
CID 90492128
N-[2-[(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)amino]ethyl]pyridine-2-carboxamide
CID 122294062
2-ethoxy-N-[(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)methyl]naphthalene-1-carboxamide
CID 122353684
N-[2-[(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)amino]ethyl]-2-(trifluoromethoxy)benzamide
CID 122294170
N-[2-[(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)amino]ethyl]acetamide
CID 70702870
4-acetyl-N-[2-[(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)amino]ethyl]benzamide
CID 122294236
1-(2-fluorophenyl)-3-[2-[(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)amino]ethyl]urea
CID 50945805
N-[2-[(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)amino]ethyl]-2-(trifluoromethyl)benzamide
CID 50946507
2,4-dimethyl-N-[2-[(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)amino]ethyl]benzamide
CID 56700339

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-N-[2-[(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)amino]ethyl]naphthalene-1-carboxamide?
The IUPAC name of 2-ethoxy-N-[2-[(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)amino]ethyl]naphthalene-1-carboxamide (CID 122294106) is 2-ethoxy-N-[2-[(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)amino]ethyl]naphthalene-1-carboxamide.
What is the SMILES notation for 2-ethoxy-N-[2-[(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)amino]ethyl]naphthalene-1-carboxamide?
The canonical SMILES for 2-ethoxy-N-[2-[(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)amino]ethyl]naphthalene-1-carboxamide is CCOc1ccc2ccccc2c1C(=O)NCCNc1cc(N2CCOCC2)nc(C)n1.
What is the InChIKey of 2-ethoxy-N-[2-[(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)amino]ethyl]naphthalene-1-carboxamide?
The InChIKey is BWQVRQLQHOAMPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N5O3/c1-3-32-20-9-8-18-6-4-5-7-19(18)23(20)24(30)26-11-10-25-21-16-22(28-17(2)27-21)29-12-14-31-15-13-29/h4-9,16H,3,10-15H2,1-2H3,(H,26,30)(H,25,27,28).
What are the key properties of 2-ethoxy-N-[2-[(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)amino]ethyl]naphthalene-1-carboxamide?
2-ethoxy-N-[2-[(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)amino]ethyl]naphthalene-1-carboxamide has a molecular weight of 435.53 g/mol, XLogP of 3.02, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-N-[2-[(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)amino]ethyl]naphthalene-1-carboxamide is sourced from PubChem (CID 122294106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).