4-[5-(2,2-dimethylpropanoylamino)naphthalen-2-yl]oxy-N-methylpyridine-2-carboxamide

C22H23N3O3 — CID 59813172

IUPAC4-[5-(2,2-dimethylpropanoylamino)naphthalen-2-yl]oxy-N-methylpyridine-2-carboxamide
SMILESCNC(=O)c1cc(Oc2ccc3c(NC(=O)C(C)(C)C)cccc3c2)ccn1
InChIInChI=1S/C22H23N3O3/c1-22(2,3)21(27)25-18-7-5-6-14-12-15(8-9-17(14)18)28-16-10-11-24-19(13-16)20(26)23-4/h5-13H,1-4H3,(H,23,26)(H,25,27)
InChIKeyXHXJZOBCKRCNFX-UHFFFAOYSA-N
MW377.44 g/mol
LogP4.37
Rot. Bonds4

About 4-[5-(2,2-dimethylpropanoylamino)naphthalen-2-yl]oxy-N-methylpyridine-2-carboxamide

4-[5-(2,2-dimethylpropanoylamino)naphthalen-2-yl]oxy-N-methylpyridine-2-carboxamide (PubChem CID 59813172) has the molecular formula C22H23N3O3 and a molecular weight of 377.44 g/mol. Its IUPAC name is 4-[5-(2,2-dimethylpropanoylamino)naphthalen-2-yl]oxy-N-methylpyridine-2-carboxamide.

Molecular Properties

Compound Name4-[5-(2,2-dimethylpropanoylamino)naphthalen-2-yl]oxy-N-methylpyridine-2-carboxamide
PubChem CID59813172
Molecular FormulaC22H23N3O3
Molecular Weight377.44 g/mol
Exact Mass377.17
IUPAC Name4-[5-(2,2-dimethylpropanoylamino)naphthalen-2-yl]oxy-N-methylpyridine-2-carboxamide
SMILESCNC(=O)c1cc(Oc2ccc3c(NC(=O)C(C)(C)C)cccc3c2)ccn1
InChIInChI=1S/C22H23N3O3/c1-22(2,3)21(27)25-18-7-5-6-14-12-15(8-9-17(14)18)28-16-10-11-24-19(13-16)20(26)23-4/h5-13H,1-4H3,(H,23,26)(H,25,27)
InChIKeyXHXJZOBCKRCNFX-UHFFFAOYSA-N
XLogP4.37
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.44
LogP ≤ 54.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[5-[[3,5-bis(trifluoromethyl)benzoyl]amino]naphthalen-2-yl]oxy-N-methylpyridine-2-carboxamide
CID 59813634
4-[5-(2-ethylpentanoylamino)naphthalen-2-yl]oxy-N-methylpyridine-2-carboxamide
CID 143083791
N-[6-[[2-[1-(methylamino)ethenyl]-4-pyridinyl]oxy]naphthalen-1-yl]-2-phenylacetamide
CID 143083701
N-anthracen-1-yl-2,2-dimethylpropanamide
CID 54051117
N'-(2-methoxyphenyl)-N-[4-[[2-(methylcarbamoyl)-4-pyridinyl]oxy]phenyl]oxamide
CID 11339157
4-[[2-(2,3-dihydro-1,4-benzodioxin-5-ylamino)-1,3-benzoxazol-6-yl]oxy]-N-methylpyridine-2-carboxamide
CID 24821306
N-methyl-4-[4-[(2-methylphenyl)carbamoylamino]phenoxy]pyridine-2-carboxamide
CID 56931255
N-[4-[[2-(methylcarbamoyl)-4-pyridinyl]oxy]phenyl]carbamate
CID 86648443
4-(2-aminoquinolin-6-yl)oxy-N-methylpyridine-2-carboxamide
CID 71019360
4-[3-[[(4-methoxybenzoyl)amino]carbamoyl]phenoxy]-N-methylpyridine-2-carboxamide
CID 58858348
4-[2-(3-fluoro-2-methylanilino)quinazolin-6-yl]oxy-N-methylpyridine-2-carboxamide
CID 59254892
4-(4-amino-3-methylphenoxy)-N-methylpyridine-2-carboxamide;hydrochloride
CID 66746840

Frequently Asked Questions

What is the IUPAC name of 4-[5-(2,2-dimethylpropanoylamino)naphthalen-2-yl]oxy-N-methylpyridine-2-carboxamide?
The IUPAC name of 4-[5-(2,2-dimethylpropanoylamino)naphthalen-2-yl]oxy-N-methylpyridine-2-carboxamide (CID 59813172) is 4-[5-(2,2-dimethylpropanoylamino)naphthalen-2-yl]oxy-N-methylpyridine-2-carboxamide.
What is the SMILES notation for 4-[5-(2,2-dimethylpropanoylamino)naphthalen-2-yl]oxy-N-methylpyridine-2-carboxamide?
The canonical SMILES for 4-[5-(2,2-dimethylpropanoylamino)naphthalen-2-yl]oxy-N-methylpyridine-2-carboxamide is CNC(=O)c1cc(Oc2ccc3c(NC(=O)C(C)(C)C)cccc3c2)ccn1.
What is the InChIKey of 4-[5-(2,2-dimethylpropanoylamino)naphthalen-2-yl]oxy-N-methylpyridine-2-carboxamide?
The InChIKey is XHXJZOBCKRCNFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O3/c1-22(2,3)21(27)25-18-7-5-6-14-12-15(8-9-17(14)18)28-16-10-11-24-19(13-16)20(26)23-4/h5-13H,1-4H3,(H,23,26)(H,25,27).
What are the key properties of 4-[5-(2,2-dimethylpropanoylamino)naphthalen-2-yl]oxy-N-methylpyridine-2-carboxamide?
4-[5-(2,2-dimethylpropanoylamino)naphthalen-2-yl]oxy-N-methylpyridine-2-carboxamide has a molecular weight of 377.44 g/mol, XLogP of 4.37, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(2,2-dimethylpropanoylamino)naphthalen-2-yl]oxy-N-methylpyridine-2-carboxamide is sourced from PubChem (CID 59813172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).