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

C23H26N4O3 — CID 122353684

IUPAC2-ethoxy-N-[(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)methyl]naphthalene-1-carboxamide
SMILESCCOc1ccc2ccccc2c1C(=O)NCc1cc(C)nc(N2CCOCC2)n1
InChIInChI=1S/C23H26N4O3/c1-3-30-20-9-8-17-6-4-5-7-19(17)21(20)22(28)24-15-18-14-16(2)25-23(26-18)27-10-12-29-13-11-27/h4-9,14H,3,10-13,15H2,1-2H3,(H,24,28)
InChIKeyFOSYSDLKYQWQTH-UHFFFAOYSA-N
MW406.49 g/mol
LogP3.10
Rot. Bonds6

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

2-ethoxy-N-[(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)methyl]naphthalene-1-carboxamide (PubChem CID 122353684) has the molecular formula C23H26N4O3 and a molecular weight of 406.49 g/mol. Its IUPAC name is 2-ethoxy-N-[(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)methyl]naphthalene-1-carboxamide.

Molecular Properties

Compound Name2-ethoxy-N-[(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)methyl]naphthalene-1-carboxamide
PubChem CID122353684
Molecular FormulaC23H26N4O3
Molecular Weight406.49 g/mol
Exact Mass406.20
IUPAC Name2-ethoxy-N-[(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)methyl]naphthalene-1-carboxamide
SMILESCCOc1ccc2ccccc2c1C(=O)NCc1cc(C)nc(N2CCOCC2)n1
InChIInChI=1S/C23H26N4O3/c1-3-30-20-9-8-17-6-4-5-7-19(17)21(20)22(28)24-15-18-14-16(2)25-23(26-18)27-10-12-29-13-11-27/h4-9,14H,3,10-13,15H2,1-2H3,(H,24,28)
InChIKeyFOSYSDLKYQWQTH-UHFFFAOYSA-N
XLogP3.10
TPSA76.58 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.49
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-ethoxy-N-[2-[(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)amino]ethyl]naphthalene-1-carboxamide
CID 122294106
2-chloro-N-[(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)methyl]benzamide
CID 72718377
4-butoxy-N-[(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)methyl]benzamide
CID 91967481
2-(1H-indol-3-yl)-N-[(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)methyl]acetamide
CID 91967492
N-[(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)methyl]-3-phenylpropanamide
CID 91967478
N-[(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)methyl]-2-pyrimidin-2-yloxyacetamide
CID 72718392
N-[(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)methyl]-2-(3-methylphenyl)acetamide
CID 122353695
1-[(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)methyl]-3-phenylurea
CID 91967530
2-indol-1-yl-N-[(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)methyl]acetamide
CID 122353777
2,4-dimethyl-N-[(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)methyl]benzamide
CID 91967457
1-methyl-N-[(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)methyl]triazole-4-carboxamide
CID 122353728
6-methyl-2-morpholin-4-yl-N-(pyridin-2-ylmethyl)pyrimidine-4-carboxamide
CID 56731265

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-N-[(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)methyl]naphthalene-1-carboxamide?
The IUPAC name of 2-ethoxy-N-[(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)methyl]naphthalene-1-carboxamide (CID 122353684) is 2-ethoxy-N-[(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)methyl]naphthalene-1-carboxamide.
What is the SMILES notation for 2-ethoxy-N-[(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)methyl]naphthalene-1-carboxamide?
The canonical SMILES for 2-ethoxy-N-[(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)methyl]naphthalene-1-carboxamide is CCOc1ccc2ccccc2c1C(=O)NCc1cc(C)nc(N2CCOCC2)n1.
What is the InChIKey of 2-ethoxy-N-[(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)methyl]naphthalene-1-carboxamide?
The InChIKey is FOSYSDLKYQWQTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O3/c1-3-30-20-9-8-17-6-4-5-7-19(17)21(20)22(28)24-15-18-14-16(2)25-23(26-18)27-10-12-29-13-11-27/h4-9,14H,3,10-13,15H2,1-2H3,(H,24,28).
What are the key properties of 2-ethoxy-N-[(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)methyl]naphthalene-1-carboxamide?
2-ethoxy-N-[(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)methyl]naphthalene-1-carboxamide has a molecular weight of 406.49 g/mol, XLogP of 3.10, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-N-[(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)methyl]naphthalene-1-carboxamide is sourced from PubChem (CID 122353684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).