6-[4-[(1-oxaspiro[4.4]nonan-3-ylamino)methyl]naphthalen-1-yl]oxypyridine-3-carboxamide

C25H27N3O3 — CID 59401296

IUPAC6-[4-[(1-oxaspiro[4.4]nonan-3-ylamino)methyl]naphthalen-1-yl]oxypyridine-3-carboxamide
SMILESNC(=O)c1ccc(Oc2ccc(CNC3COC4(CCCC4)C3)c3ccccc23)nc1
InChIInChI=1S/C25H27N3O3/c26-24(29)18-8-10-23(28-15-18)31-22-9-7-17(20-5-1-2-6-21(20)22)14-27-19-13-25(30-16-19)11-3-4-12-25/h1-2,5-10,15,19,27H,3-4,11-14,16H2,(H2,26,29)
InChIKeyMQDTXQKWZFMRJW-UHFFFAOYSA-N
MW417.51 g/mol
LogP4.32
Rot. Bonds6

About 6-[4-[(1-oxaspiro[4.4]nonan-3-ylamino)methyl]naphthalen-1-yl]oxypyridine-3-carboxamide

6-[4-[(1-oxaspiro[4.4]nonan-3-ylamino)methyl]naphthalen-1-yl]oxypyridine-3-carboxamide (PubChem CID 59401296) has the molecular formula C25H27N3O3 and a molecular weight of 417.51 g/mol. Its IUPAC name is 6-[4-[(1-oxaspiro[4.4]nonan-3-ylamino)methyl]naphthalen-1-yl]oxypyridine-3-carboxamide.

Molecular Properties

Compound Name6-[4-[(1-oxaspiro[4.4]nonan-3-ylamino)methyl]naphthalen-1-yl]oxypyridine-3-carboxamide
PubChem CID59401296
Molecular FormulaC25H27N3O3
Molecular Weight417.51 g/mol
Exact Mass417.21
IUPAC Name6-[4-[(1-oxaspiro[4.4]nonan-3-ylamino)methyl]naphthalen-1-yl]oxypyridine-3-carboxamide
SMILESNC(=O)c1ccc(Oc2ccc(CNC3COC4(CCCC4)C3)c3ccccc23)nc1
InChIInChI=1S/C25H27N3O3/c26-24(29)18-8-10-23(28-15-18)31-22-9-7-17(20-5-1-2-6-21(20)22)14-27-19-13-25(30-16-19)11-3-4-12-25/h1-2,5-10,15,19,27H,3-4,11-14,16H2,(H2,26,29)
InChIKeyMQDTXQKWZFMRJW-UHFFFAOYSA-N
XLogP4.32
TPSA86.47 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.51
LogP ≤ 54.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 6-[4-[(1-oxaspiro[4.4]nonan-3-ylamino)methyl]naphthalen-1-yl]oxypyridine-3-carboxamide with MolForge

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Related Compounds

6-[5-[[(4-tert-butylcyclohexyl)amino]methyl]naphthalen-1-yl]oxypyridine-3-carboxamide
CID 59401364
6-[5-[(cyclohexylmethylamino)methyl]naphthalen-1-yl]oxypyridine-3-carboxamide
CID 25119727
6-[4-[[2-(2-methylpiperidin-1-yl)ethylamino]methyl]naphthalen-1-yl]oxypyridine-3-carboxamide
CID 25121833
6-[4-[(3-fluoroazetidin-1-yl)methyl]naphthalen-1-yl]oxypyridine-3-carboxamide;6-[4-[[4-(trifluoromethyl)piperidin-1-yl]methyl]naphthalen-1-yl]oxypyridine-3-carboxamide
CID 158474137
N-(6-oxaspiro[4.5]decan-9-yl)-6-phenoxypyridine-3-carboxamide
CID 127600072
6-[[2-(2-phenylethylamino)-2,3-dihydro-1H-inden-4-yl]oxy]pyridine-3-carboxamide
CID 66673107
4-[(5-oxaspiro[3.4]octan-7-ylamino)methyl]-3-(trifluoromethyl)benzoic acid
CID 167749492
2-anilino-N-[(3S)-1-oxaspiro[4.5]decan-3-yl]pyrimidine-5-carboxamide
CID 126451939
6-[4-[[[(3R)-1-benzylpyrrolidin-3-yl]amino]methyl]phenoxy]pyridine-3-carboxamide
CID 59730242
6-[(1-aminocyclohexyl)methoxy]pyridine-3-carboxamide
CID 64574041
6-[4-(2-oxopropyl)phenoxy]pyridine-3-carboxamide
CID 22087205
6-(4-chloronaphthalen-1-yl)oxypyridine-3-carboximidamide
CID 43804673

Frequently Asked Questions

What is the IUPAC name of 6-[4-[(1-oxaspiro[4.4]nonan-3-ylamino)methyl]naphthalen-1-yl]oxypyridine-3-carboxamide?
The IUPAC name of 6-[4-[(1-oxaspiro[4.4]nonan-3-ylamino)methyl]naphthalen-1-yl]oxypyridine-3-carboxamide (CID 59401296) is 6-[4-[(1-oxaspiro[4.4]nonan-3-ylamino)methyl]naphthalen-1-yl]oxypyridine-3-carboxamide.
What is the SMILES notation for 6-[4-[(1-oxaspiro[4.4]nonan-3-ylamino)methyl]naphthalen-1-yl]oxypyridine-3-carboxamide?
The canonical SMILES for 6-[4-[(1-oxaspiro[4.4]nonan-3-ylamino)methyl]naphthalen-1-yl]oxypyridine-3-carboxamide is NC(=O)c1ccc(Oc2ccc(CNC3COC4(CCCC4)C3)c3ccccc23)nc1.
What is the InChIKey of 6-[4-[(1-oxaspiro[4.4]nonan-3-ylamino)methyl]naphthalen-1-yl]oxypyridine-3-carboxamide?
The InChIKey is MQDTXQKWZFMRJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N3O3/c26-24(29)18-8-10-23(28-15-18)31-22-9-7-17(20-5-1-2-6-21(20)22)14-27-19-13-25(30-16-19)11-3-4-12-25/h1-2,5-10,15,19,27H,3-4,11-14,16H2,(H2,26,29).
What are the key properties of 6-[4-[(1-oxaspiro[4.4]nonan-3-ylamino)methyl]naphthalen-1-yl]oxypyridine-3-carboxamide?
6-[4-[(1-oxaspiro[4.4]nonan-3-ylamino)methyl]naphthalen-1-yl]oxypyridine-3-carboxamide has a molecular weight of 417.51 g/mol, XLogP of 4.32, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-[(1-oxaspiro[4.4]nonan-3-ylamino)methyl]naphthalen-1-yl]oxypyridine-3-carboxamide is sourced from PubChem (CID 59401296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).