2-ethoxy-N-[4-[[2-(ethylamino)-6-methylpyrimidin-4-yl]amino]phenyl]naphthalene-1-carboxamide

C26H27N5O2 — CID 122325711

IUPAC2-ethoxy-N-[4-[[2-(ethylamino)-6-methylpyrimidin-4-yl]amino]phenyl]naphthalene-1-carboxamide
SMILESCCNc1nc(C)cc(Nc2ccc(NC(=O)c3c(OCC)ccc4ccccc34)cc2)n1
InChIInChI=1S/C26H27N5O2/c1-4-27-26-28-17(3)16-23(31-26)29-19-11-13-20(14-12-19)30-25(32)24-21-9-7-6-8-18(21)10-15-22(24)33-5-2/h6-16H,4-5H2,1-3H3,(H,30,32)(H2,27,28,29,31)
InChIKeyDWIQVYLUPACAHY-UHFFFAOYSA-N
MW441.54 g/mol
LogP5.76
Rot. Bonds8

About 2-ethoxy-N-[4-[[2-(ethylamino)-6-methylpyrimidin-4-yl]amino]phenyl]naphthalene-1-carboxamide

2-ethoxy-N-[4-[[2-(ethylamino)-6-methylpyrimidin-4-yl]amino]phenyl]naphthalene-1-carboxamide (PubChem CID 122325711) has the molecular formula C26H27N5O2 and a molecular weight of 441.54 g/mol. Its IUPAC name is 2-ethoxy-N-[4-[[2-(ethylamino)-6-methylpyrimidin-4-yl]amino]phenyl]naphthalene-1-carboxamide.

Molecular Properties

Compound Name2-ethoxy-N-[4-[[2-(ethylamino)-6-methylpyrimidin-4-yl]amino]phenyl]naphthalene-1-carboxamide
PubChem CID122325711
Molecular FormulaC26H27N5O2
Molecular Weight441.54 g/mol
Exact Mass441.22
IUPAC Name2-ethoxy-N-[4-[[2-(ethylamino)-6-methylpyrimidin-4-yl]amino]phenyl]naphthalene-1-carboxamide
SMILESCCNc1nc(C)cc(Nc2ccc(NC(=O)c3c(OCC)ccc4ccccc34)cc2)n1
InChIInChI=1S/C26H27N5O2/c1-4-27-26-28-17(3)16-23(31-26)29-19-11-13-20(14-12-19)30-25(32)24-21-9-7-6-8-18(21)10-15-22(24)33-5-2/h6-16H,4-5H2,1-3H3,(H,30,32)(H2,27,28,29,31)
InChIKeyDWIQVYLUPACAHY-UHFFFAOYSA-N
XLogP5.76
TPSA88.17 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500441.54
LogP ≤ 55.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

2-ethoxy-N-[4-[[2-methyl-6-[(4-methyl-2-pyridinyl)amino]pyrimidin-4-yl]amino]phenyl]naphthalene-1-carboxamide
CID 122316756
N-[4-[[2-(ethylamino)-6-methylpyrimidin-4-yl]amino]phenyl]-2,3-dimethoxybenzamide
CID 122325626
N-[4-[[2-(ethylamino)-6-methylpyrimidin-4-yl]amino]phenyl]-1-benzofuran-2-carboxamide
CID 122325725
3-chloro-N-[4-[[2-(ethylamino)-6-methylpyrimidin-4-yl]amino]phenyl]benzamide
CID 53047804
N-[4-[[2-(ethylamino)-6-methylpyrimidin-4-yl]amino]phenyl]-3-fluorobenzamide
CID 53047801
2-ethoxy-N-(2-ethoxypyrimidin-5-yl)naphthalene-1-carboxamide
CID 122301952
N-[4-[[2-(ethylamino)-6-methylpyrimidin-4-yl]amino]phenyl]-1,2-oxazole-5-carboxamide
CID 122325693
N-[4-[[2-(ethylamino)-6-methylpyrimidin-4-yl]amino]phenyl]-2-phenylbutanamide
CID 122325653
N-[4-[[2-(ethylamino)-6-methylpyrimidin-4-yl]amino]phenyl]furan-3-carboxamide
CID 122325764
N-[4-[[2-(ethylamino)-6-methylpyrimidin-4-yl]amino]phenyl]indolizine-2-carboxamide
CID 122325822
1-(2-chlorophenyl)-3-[4-[[2-(ethylamino)-6-methylpyrimidin-4-yl]amino]phenyl]urea
CID 53047962
N-[4-[[2-(ethylamino)-6-methylpyrimidin-4-yl]amino]phenyl]-2-phenyltriazole-4-carboxamide
CID 122325694

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-N-[4-[[2-(ethylamino)-6-methylpyrimidin-4-yl]amino]phenyl]naphthalene-1-carboxamide?
The IUPAC name of 2-ethoxy-N-[4-[[2-(ethylamino)-6-methylpyrimidin-4-yl]amino]phenyl]naphthalene-1-carboxamide (CID 122325711) is 2-ethoxy-N-[4-[[2-(ethylamino)-6-methylpyrimidin-4-yl]amino]phenyl]naphthalene-1-carboxamide.
What is the SMILES notation for 2-ethoxy-N-[4-[[2-(ethylamino)-6-methylpyrimidin-4-yl]amino]phenyl]naphthalene-1-carboxamide?
The canonical SMILES for 2-ethoxy-N-[4-[[2-(ethylamino)-6-methylpyrimidin-4-yl]amino]phenyl]naphthalene-1-carboxamide is CCNc1nc(C)cc(Nc2ccc(NC(=O)c3c(OCC)ccc4ccccc34)cc2)n1.
What is the InChIKey of 2-ethoxy-N-[4-[[2-(ethylamino)-6-methylpyrimidin-4-yl]amino]phenyl]naphthalene-1-carboxamide?
The InChIKey is DWIQVYLUPACAHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27N5O2/c1-4-27-26-28-17(3)16-23(31-26)29-19-11-13-20(14-12-19)30-25(32)24-21-9-7-6-8-18(21)10-15-22(24)33-5-2/h6-16H,4-5H2,1-3H3,(H,30,32)(H2,27,28,29,31).
What are the key properties of 2-ethoxy-N-[4-[[2-(ethylamino)-6-methylpyrimidin-4-yl]amino]phenyl]naphthalene-1-carboxamide?
2-ethoxy-N-[4-[[2-(ethylamino)-6-methylpyrimidin-4-yl]amino]phenyl]naphthalene-1-carboxamide has a molecular weight of 441.54 g/mol, XLogP of 5.76, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-N-[4-[[2-(ethylamino)-6-methylpyrimidin-4-yl]amino]phenyl]naphthalene-1-carboxamide is sourced from PubChem (CID 122325711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).