2-(1,3-dihydroisoindol-2-yl)-N-[4-(2-morpholin-4-ylethoxy)naphthalen-1-yl]pyridine-4-carboxamide

C30H30N4O3 — CID 59553384

IUPAC2-(1,3-dihydroisoindol-2-yl)-N-[4-(2-morpholin-4-ylethoxy)naphthalen-1-yl]pyridine-4-carboxamide
SMILESO=C(Nc1ccc(OCCN2CCOCC2)c2ccccc12)c1ccnc(N2Cc3ccccc3C2)c1
InChIInChI=1S/C30H30N4O3/c35-30(22-11-12-31-29(19-22)34-20-23-5-1-2-6-24(23)21-34)32-27-9-10-28(26-8-4-3-7-25(26)27)37-18-15-33-13-16-36-17-14-33/h1-12,19H,13-18,20-21H2,(H,32,35)
InChIKeyUDLLYCCOKKWSRT-UHFFFAOYSA-N
MW494.60 g/mol
LogP4.72
Rot. Bonds7

About 2-(1,3-dihydroisoindol-2-yl)-N-[4-(2-morpholin-4-ylethoxy)naphthalen-1-yl]pyridine-4-carboxamide

2-(1,3-dihydroisoindol-2-yl)-N-[4-(2-morpholin-4-ylethoxy)naphthalen-1-yl]pyridine-4-carboxamide (PubChem CID 59553384) has the molecular formula C30H30N4O3 and a molecular weight of 494.60 g/mol. Its IUPAC name is 2-(1,3-dihydroisoindol-2-yl)-N-[4-(2-morpholin-4-ylethoxy)naphthalen-1-yl]pyridine-4-carboxamide.

Molecular Properties

Compound Name2-(1,3-dihydroisoindol-2-yl)-N-[4-(2-morpholin-4-ylethoxy)naphthalen-1-yl]pyridine-4-carboxamide
PubChem CID59553384
Molecular FormulaC30H30N4O3
Molecular Weight494.60 g/mol
Exact Mass494.23
IUPAC Name2-(1,3-dihydroisoindol-2-yl)-N-[4-(2-morpholin-4-ylethoxy)naphthalen-1-yl]pyridine-4-carboxamide
SMILESO=C(Nc1ccc(OCCN2CCOCC2)c2ccccc12)c1ccnc(N2Cc3ccccc3C2)c1
InChIInChI=1S/C30H30N4O3/c35-30(22-11-12-31-29(19-22)34-20-23-5-1-2-6-24(23)21-34)32-27-9-10-28(26-8-4-3-7-25(26)27)37-18-15-33-13-16-36-17-14-33/h1-12,19H,13-18,20-21H2,(H,32,35)
InChIKeyUDLLYCCOKKWSRT-UHFFFAOYSA-N
XLogP4.72
TPSA66.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500494.60
LogP ≤ 54.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-{4-[(6-{[3-(1,3-oxazol-5-yl)phenyl]amino}pyrazin-2-yl)oxy]naphthalen-1-yl}acetamide
CID 24863189
N-{5-[(6-{[3-(1,3-oxazol-5-yl)phenyl]amino}pyrazin-2-yl)oxy]naphthalen-1-yl}acetamide
CID 24878671
N-(5-(6-(3-Oxo-1,3-dihydroisobenzofuran-5-ylamino)pyrazin-2-yloxy)naphthalen-1-yl)acetamide
CID 24878672
1-(4-(2-Oxo-2,3-dihydro-1H-imidazo[4,5-b]pyridin-7-yl-oxy)naphthalen-1-yl)-3-(3-(trifluoromethyl)phenyl)urea
CID 44185067
N-methyl-6-[[2-[(4-morpholin-4-ylbenzoyl)amino]-4-pyridinyl]oxy]naphthalene-1-carboxamide
CID 145351739
Pyridoimidazolone, 27f
CID 42625243
1-(3-Fluorophenyl)-3-[4-[(2-oxo-1,3-dihydroimidazo[4,5-b]pyridin-7-yl)oxy]naphthalen-1-yl]urea
CID 44185068
1-(3,4-Difluorophenyl)-3-[4-[(2-oxo-1,3-dihydroimidazo[4,5-b]pyridin-7-yl)oxy]naphthalen-1-yl]urea
CID 44185069
1-[2-Morpholin-4-yl-5-(trifluoromethyl)phenyl]-3-[4-[(2-oxo-1,3-dihydroimidazo[4,5-b]pyridin-7-yl)oxy]naphthalen-1-yl]urea
CID 44185840
1-(3-tert-butylphenyl)-3-[4-[(1-methyl-2-oxo-3H-imidazo[4,5-b]pyridin-7-yl)oxy]naphthalen-1-yl]urea
CID 44185842
1-[4-[(1-methyl-2-oxo-3H-imidazo[4,5-b]pyridin-7-yl)oxy]naphthalen-1-yl]-3-[3-(trifluoromethyl)phenyl]urea
CID 44185843
1-(3-tert-butylphenyl)-3-[4-[(3-methyl-2-oxo-1H-imidazo[4,5-b]pyridin-7-yl)oxy]naphthalen-1-yl]urea
CID 44185961

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-dihydroisoindol-2-yl)-N-[4-(2-morpholin-4-ylethoxy)naphthalen-1-yl]pyridine-4-carboxamide?
The IUPAC name of 2-(1,3-dihydroisoindol-2-yl)-N-[4-(2-morpholin-4-ylethoxy)naphthalen-1-yl]pyridine-4-carboxamide (CID 59553384) is 2-(1,3-dihydroisoindol-2-yl)-N-[4-(2-morpholin-4-ylethoxy)naphthalen-1-yl]pyridine-4-carboxamide.
What is the SMILES notation for 2-(1,3-dihydroisoindol-2-yl)-N-[4-(2-morpholin-4-ylethoxy)naphthalen-1-yl]pyridine-4-carboxamide?
The canonical SMILES for 2-(1,3-dihydroisoindol-2-yl)-N-[4-(2-morpholin-4-ylethoxy)naphthalen-1-yl]pyridine-4-carboxamide is O=C(Nc1ccc(OCCN2CCOCC2)c2ccccc12)c1ccnc(N2Cc3ccccc3C2)c1.
What is the InChIKey of 2-(1,3-dihydroisoindol-2-yl)-N-[4-(2-morpholin-4-ylethoxy)naphthalen-1-yl]pyridine-4-carboxamide?
The InChIKey is UDLLYCCOKKWSRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H30N4O3/c35-30(22-11-12-31-29(19-22)34-20-23-5-1-2-6-24(23)21-34)32-27-9-10-28(26-8-4-3-7-25(26)27)37-18-15-33-13-16-36-17-14-33/h1-12,19H,13-18,20-21H2,(H,32,35).
What are the key properties of 2-(1,3-dihydroisoindol-2-yl)-N-[4-(2-morpholin-4-ylethoxy)naphthalen-1-yl]pyridine-4-carboxamide?
2-(1,3-dihydroisoindol-2-yl)-N-[4-(2-morpholin-4-ylethoxy)naphthalen-1-yl]pyridine-4-carboxamide has a molecular weight of 494.60 g/mol, XLogP of 4.72, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-dihydroisoindol-2-yl)-N-[4-(2-morpholin-4-ylethoxy)naphthalen-1-yl]pyridine-4-carboxamide is sourced from PubChem (CID 59553384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).