N-methyl-6-[[2-[(4-morpholin-4-ylbenzoyl)amino]-4-pyridinyl]oxy]naphthalene-1-carboxamide

C28H26N4O4 — CID 145351739

IUPACN-methyl-6-[[2-[(4-morpholin-4-ylbenzoyl)amino]-4-pyridinyl]oxy]naphthalene-1-carboxamide
SMILESCNC(=O)c1cccc2cc(Oc3ccnc(NC(=O)c4ccc(N5CCOCC5)cc4)c3)ccc12
InChIInChI=1S/C28H26N4O4/c1-29-28(34)25-4-2-3-20-17-22(9-10-24(20)25)36-23-11-12-30-26(18-23)31-27(33)19-5-7-21(8-6-19)32-13-15-35-16-14-32/h2-12,17-18H,13-16H2,1H3,(H,29,34)(H,30,31,33)
InChIKeyNVGUOWLGKREETI-UHFFFAOYSA-N
MW482.54 g/mol
LogP4.48
Rot. Bonds6

About N-methyl-6-[[2-[(4-morpholin-4-ylbenzoyl)amino]-4-pyridinyl]oxy]naphthalene-1-carboxamide

N-methyl-6-[[2-[(4-morpholin-4-ylbenzoyl)amino]-4-pyridinyl]oxy]naphthalene-1-carboxamide (PubChem CID 145351739) has the molecular formula C28H26N4O4 and a molecular weight of 482.54 g/mol. Its IUPAC name is N-methyl-6-[[2-[(4-morpholin-4-ylbenzoyl)amino]-4-pyridinyl]oxy]naphthalene-1-carboxamide.

Molecular Properties

Compound NameN-methyl-6-[[2-[(4-morpholin-4-ylbenzoyl)amino]-4-pyridinyl]oxy]naphthalene-1-carboxamide
PubChem CID145351739
Molecular FormulaC28H26N4O4
Molecular Weight482.54 g/mol
Exact Mass482.20
IUPAC NameN-methyl-6-[[2-[(4-morpholin-4-ylbenzoyl)amino]-4-pyridinyl]oxy]naphthalene-1-carboxamide
SMILESCNC(=O)c1cccc2cc(Oc3ccnc(NC(=O)c4ccc(N5CCOCC5)cc4)c3)ccc12
InChIInChI=1S/C28H26N4O4/c1-29-28(34)25-4-2-3-20-17-22(9-10-24(20)25)36-23-11-12-30-26(18-23)31-27(33)19-5-7-21(8-6-19)32-13-15-35-16-14-32/h2-12,17-18H,13-16H2,1H3,(H,29,34)(H,30,31,33)
InChIKeyNVGUOWLGKREETI-UHFFFAOYSA-N
XLogP4.48
TPSA92.79 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.54
LogP ≤ 54.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-methyl-6-[[2-[(4-morpholin-4-ylbenzoyl)amino]-4-pyridinyl]oxy]naphthalene-1-carboxamide?
The IUPAC name of N-methyl-6-[[2-[(4-morpholin-4-ylbenzoyl)amino]-4-pyridinyl]oxy]naphthalene-1-carboxamide (CID 145351739) is N-methyl-6-[[2-[(4-morpholin-4-ylbenzoyl)amino]-4-pyridinyl]oxy]naphthalene-1-carboxamide.
What is the SMILES notation for N-methyl-6-[[2-[(4-morpholin-4-ylbenzoyl)amino]-4-pyridinyl]oxy]naphthalene-1-carboxamide?
The canonical SMILES for N-methyl-6-[[2-[(4-morpholin-4-ylbenzoyl)amino]-4-pyridinyl]oxy]naphthalene-1-carboxamide is CNC(=O)c1cccc2cc(Oc3ccnc(NC(=O)c4ccc(N5CCOCC5)cc4)c3)ccc12.
What is the InChIKey of N-methyl-6-[[2-[(4-morpholin-4-ylbenzoyl)amino]-4-pyridinyl]oxy]naphthalene-1-carboxamide?
The InChIKey is NVGUOWLGKREETI-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H26N4O4/c1-29-28(34)25-4-2-3-20-17-22(9-10-24(20)25)36-23-11-12-30-26(18-23)31-27(33)19-5-7-21(8-6-19)32-13-15-35-16-14-32/h2-12,17-18H,13-16H2,1H3,(H,29,34)(H,30,31,33).
What are the key properties of N-methyl-6-[[2-[(4-morpholin-4-ylbenzoyl)amino]-4-pyridinyl]oxy]naphthalene-1-carboxamide?
N-methyl-6-[[2-[(4-morpholin-4-ylbenzoyl)amino]-4-pyridinyl]oxy]naphthalene-1-carboxamide has a molecular weight of 482.54 g/mol, XLogP of 4.48, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-6-[[2-[(4-morpholin-4-ylbenzoyl)amino]-4-pyridinyl]oxy]naphthalene-1-carboxamide is sourced from PubChem (CID 145351739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).