2-chloro-6-morpholin-4-yl-N-[4-(2-morpholin-4-ylethoxy)naphthalen-1-yl]pyridine-4-carboxamide

C26H29ClN4O4 — CID 59553184

IUPAC2-chloro-6-morpholin-4-yl-N-[4-(2-morpholin-4-ylethoxy)naphthalen-1-yl]pyridine-4-carboxamide
SMILESO=C(Nc1ccc(OCCN2CCOCC2)c2ccccc12)c1cc(Cl)nc(N2CCOCC2)c1
InChIInChI=1S/C26H29ClN4O4/c27-24-17-19(18-25(29-24)31-10-14-34-15-11-31)26(32)28-22-5-6-23(21-4-2-1-3-20(21)22)35-16-9-30-7-12-33-13-8-30/h1-6,17-18H,7-16H2,(H,28,32)
InChIKeyJBBWEGTWVBZOQL-UHFFFAOYSA-N
MW497.00 g/mol
LogP3.69
Rot. Bonds7

About 2-chloro-6-morpholin-4-yl-N-[4-(2-morpholin-4-ylethoxy)naphthalen-1-yl]pyridine-4-carboxamide

2-chloro-6-morpholin-4-yl-N-[4-(2-morpholin-4-ylethoxy)naphthalen-1-yl]pyridine-4-carboxamide (PubChem CID 59553184) has the molecular formula C26H29ClN4O4 and a molecular weight of 497.00 g/mol. Its IUPAC name is 2-chloro-6-morpholin-4-yl-N-[4-(2-morpholin-4-ylethoxy)naphthalen-1-yl]pyridine-4-carboxamide.

Molecular Properties

Compound Name2-chloro-6-morpholin-4-yl-N-[4-(2-morpholin-4-ylethoxy)naphthalen-1-yl]pyridine-4-carboxamide
PubChem CID59553184
Molecular FormulaC26H29ClN4O4
Molecular Weight497.00 g/mol
Exact Mass496.19
IUPAC Name2-chloro-6-morpholin-4-yl-N-[4-(2-morpholin-4-ylethoxy)naphthalen-1-yl]pyridine-4-carboxamide
SMILESO=C(Nc1ccc(OCCN2CCOCC2)c2ccccc12)c1cc(Cl)nc(N2CCOCC2)c1
InChIInChI=1S/C26H29ClN4O4/c27-24-17-19(18-25(29-24)31-10-14-34-15-11-31)26(32)28-22-5-6-23(21-4-2-1-3-20(21)22)35-16-9-30-7-12-33-13-8-30/h1-6,17-18H,7-16H2,(H,28,32)
InChIKeyJBBWEGTWVBZOQL-UHFFFAOYSA-N
XLogP3.69
TPSA76.16 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500497.00
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

4-methyl-3-morpholin-4-yl-N-[4-(2-morpholin-4-ylethoxy)naphthalen-1-yl]benzamide
CID 59553258
3-(3-chlorophenyl)-N-[4-(2-morpholin-4-ylethoxy)naphthalen-1-yl]benzamide
CID 59553438
[4-(2-morpholin-4-ylethoxy)naphthalen-1-yl]urea
CID 18628987
4-(dimethylamino)-N-[4-(2-morpholin-4-ylethoxy)naphthalen-1-yl]benzamide
CID 59553215
4-cyano-N-[4-(2-morpholin-4-ylethoxy)naphthalen-1-yl]benzamide
CID 59553360
3-[(2R)-2,6-dimethylmorpholin-4-yl]-N-[4-(2-morpholin-4-ylethoxy)naphthalen-1-yl]benzamide
CID 143171289
3-fluoro-N-[4-(3-morpholin-4-ylpropoxy)naphthalen-1-yl]-5-piperidin-1-ylbenzamide
CID 59553166
3-(4-ethenylphenyl)-N-[4-(2-morpholin-4-ylethoxy)naphthalen-1-yl]benzamide
CID 59553458
N-[4-(2-morpholin-4-ylethoxy)naphthalen-1-yl]-3-(2-phenoxyphenyl)benzamide
CID 59553162
3-(2,3-dimethoxyphenyl)-N-[4-(2-morpholin-4-ylethoxy)naphthalen-1-yl]benzamide
CID 59553486
3-cyclohexyloxy-5-fluorobenzoic acid;3-cyclohexyloxy-5-fluoro-N-[4-(2-morpholin-4-ylethoxy)naphthalen-1-yl]benzamide
CID 157180794
1-(2-ethoxy-5-trimethylsilylphenyl)-3-[4-(2-morpholin-4-ylethoxy)naphthalen-1-yl]urea
CID 11409584

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-morpholin-4-yl-N-[4-(2-morpholin-4-ylethoxy)naphthalen-1-yl]pyridine-4-carboxamide?
The IUPAC name of 2-chloro-6-morpholin-4-yl-N-[4-(2-morpholin-4-ylethoxy)naphthalen-1-yl]pyridine-4-carboxamide (CID 59553184) is 2-chloro-6-morpholin-4-yl-N-[4-(2-morpholin-4-ylethoxy)naphthalen-1-yl]pyridine-4-carboxamide.
What is the SMILES notation for 2-chloro-6-morpholin-4-yl-N-[4-(2-morpholin-4-ylethoxy)naphthalen-1-yl]pyridine-4-carboxamide?
The canonical SMILES for 2-chloro-6-morpholin-4-yl-N-[4-(2-morpholin-4-ylethoxy)naphthalen-1-yl]pyridine-4-carboxamide is O=C(Nc1ccc(OCCN2CCOCC2)c2ccccc12)c1cc(Cl)nc(N2CCOCC2)c1.
What is the InChIKey of 2-chloro-6-morpholin-4-yl-N-[4-(2-morpholin-4-ylethoxy)naphthalen-1-yl]pyridine-4-carboxamide?
The InChIKey is JBBWEGTWVBZOQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29ClN4O4/c27-24-17-19(18-25(29-24)31-10-14-34-15-11-31)26(32)28-22-5-6-23(21-4-2-1-3-20(21)22)35-16-9-30-7-12-33-13-8-30/h1-6,17-18H,7-16H2,(H,28,32).
What are the key properties of 2-chloro-6-morpholin-4-yl-N-[4-(2-morpholin-4-ylethoxy)naphthalen-1-yl]pyridine-4-carboxamide?
2-chloro-6-morpholin-4-yl-N-[4-(2-morpholin-4-ylethoxy)naphthalen-1-yl]pyridine-4-carboxamide has a molecular weight of 497.00 g/mol, XLogP of 3.69, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-morpholin-4-yl-N-[4-(2-morpholin-4-ylethoxy)naphthalen-1-yl]pyridine-4-carboxamide is sourced from PubChem (CID 59553184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).