6-[[2-[[4-[(1-aminocyclopropyl)methoxy]benzoyl]amino]-4-pyridinyl]oxy]-N-methylnaphthalene-1-carboxamide

C28H26N4O4 — CID 145351798

IUPAC6-[[2-[[4-[(1-aminocyclopropyl)methoxy]benzoyl]amino]-4-pyridinyl]oxy]-N-methylnaphthalene-1-carboxamide
SMILESCNC(=O)c1cccc2cc(Oc3ccnc(NC(=O)c4ccc(OCC5(N)CC5)cc4)c3)ccc12
InChIInChI=1S/C28H26N4O4/c1-30-27(34)24-4-2-3-19-15-21(9-10-23(19)24)36-22-11-14-31-25(16-22)32-26(33)18-5-7-20(8-6-18)35-17-28(29)12-13-28/h2-11,14-16H,12-13,17,29H2,1H3,(H,30,34)(H,31,32,33)
InChIKeyXPEUYRKTSFCLBQ-UHFFFAOYSA-N
MW482.54 g/mol
LogP4.51
Rot. Bonds8

About 6-[[2-[[4-[(1-aminocyclopropyl)methoxy]benzoyl]amino]-4-pyridinyl]oxy]-N-methylnaphthalene-1-carboxamide

6-[[2-[[4-[(1-aminocyclopropyl)methoxy]benzoyl]amino]-4-pyridinyl]oxy]-N-methylnaphthalene-1-carboxamide (PubChem CID 145351798) has the molecular formula C28H26N4O4 and a molecular weight of 482.54 g/mol. Its IUPAC name is 6-[[2-[[4-[(1-aminocyclopropyl)methoxy]benzoyl]amino]-4-pyridinyl]oxy]-N-methylnaphthalene-1-carboxamide.

Molecular Properties

Compound Name6-[[2-[[4-[(1-aminocyclopropyl)methoxy]benzoyl]amino]-4-pyridinyl]oxy]-N-methylnaphthalene-1-carboxamide
PubChem CID145351798
Molecular FormulaC28H26N4O4
Molecular Weight482.54 g/mol
Exact Mass482.20
IUPAC Name6-[[2-[[4-[(1-aminocyclopropyl)methoxy]benzoyl]amino]-4-pyridinyl]oxy]-N-methylnaphthalene-1-carboxamide
SMILESCNC(=O)c1cccc2cc(Oc3ccnc(NC(=O)c4ccc(OCC5(N)CC5)cc4)c3)ccc12
InChIInChI=1S/C28H26N4O4/c1-30-27(34)24-4-2-3-19-15-21(9-10-23(19)24)36-22-11-14-31-25(16-22)32-26(33)18-5-7-20(8-6-18)35-17-28(29)12-13-28/h2-11,14-16H,12-13,17,29H2,1H3,(H,30,34)(H,31,32,33)
InChIKeyXPEUYRKTSFCLBQ-UHFFFAOYSA-N
XLogP4.51
TPSA115.57 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.54
LogP ≤ 54.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 6-[[2-[[4-[(1-aminocyclopropyl)methoxy]benzoyl]amino]-4-pyridinyl]oxy]-N-methylnaphthalene-1-carboxamide with MolForge

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Related Compounds

Risimtinib
CID 145351764
Benzamide,3-(1-amino-1-methylethyl)-N-[(2R)-1,2,3,4-tetrahydro-7-[(5,6,7,8-tetrahydro-7-oxo-1,8-naphthyridin-4-yl)oxy]-2-naphthalenyl]-5-(trifluoromethyl)-
CID 50992247
N-methyl-6-[[2-[[4-(4-methylpiperazin-1-yl)benzoyl]amino]-4-pyridinyl]oxy]naphthalene-1-carboxamide
CID 145351804
(2S)-3-[4-[3-(pyridin-2-ylamino)propoxy]phenyl]-2-[(2,4,6-trimethylbenzoyl)amino]propanoic acid
CID 16665100
(2s)-N-[3-(2-Aminopropan-2-Yl)-5-(Trifluoromethyl)phenyl]-7-[(7-Oxo-5,6,7,8-Tetrahydro-1,8-Naphthyridin-4-Yl)oxy]-1,2,3,4-Tetrahydronaphthalene-2-Carboxamide
CID 50937465
(3S)-4-[4-[3-[(4-methoxy-2-pyridinyl)amino]propoxy]phenyl]-3-[(4-propan-2-yloxybenzoyl)amino]butanoic acid
CID 71550913
3-methoxy-N-(4-methyl-2-pyridyl)-2-naphthamide
CID 16391032
3-methoxy-N-(5-methyl-2-pyridinyl)-2-naphthalenecarboxamide
CID 16391033
3-ethoxy-N-pyridin-2-ylnaphthalene-2-carboxamide
CID 5302933
N-(4-chlorophenyl)-6-[[2-(methylamino)-4-pyridinyl]oxy]naphthalene-1-carboxamide
CID 24822265
3-tert-butyl-N-(3-(3-oxo-3,4-dihydropyrido[2,3-b]pyrazin-8-yloxy)phenyl)benzamide
CID 44133721
3-[(1S)-1-amino-2-hydroxyethyl]-N-[(2R)-7-[(7-oxo-6,8-dihydro-5H-1,8-naphthyridin-4-yl)oxy]-1,2,3,4-tetrahydronaphthalen-2-yl]-5-(trifluoromethyl)benzamide;hydrochloride
CID 46847263

Frequently Asked Questions

What is the IUPAC name of 6-[[2-[[4-[(1-aminocyclopropyl)methoxy]benzoyl]amino]-4-pyridinyl]oxy]-N-methylnaphthalene-1-carboxamide?
The IUPAC name of 6-[[2-[[4-[(1-aminocyclopropyl)methoxy]benzoyl]amino]-4-pyridinyl]oxy]-N-methylnaphthalene-1-carboxamide (CID 145351798) is 6-[[2-[[4-[(1-aminocyclopropyl)methoxy]benzoyl]amino]-4-pyridinyl]oxy]-N-methylnaphthalene-1-carboxamide.
What is the SMILES notation for 6-[[2-[[4-[(1-aminocyclopropyl)methoxy]benzoyl]amino]-4-pyridinyl]oxy]-N-methylnaphthalene-1-carboxamide?
The canonical SMILES for 6-[[2-[[4-[(1-aminocyclopropyl)methoxy]benzoyl]amino]-4-pyridinyl]oxy]-N-methylnaphthalene-1-carboxamide is CNC(=O)c1cccc2cc(Oc3ccnc(NC(=O)c4ccc(OCC5(N)CC5)cc4)c3)ccc12.
What is the InChIKey of 6-[[2-[[4-[(1-aminocyclopropyl)methoxy]benzoyl]amino]-4-pyridinyl]oxy]-N-methylnaphthalene-1-carboxamide?
The InChIKey is XPEUYRKTSFCLBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H26N4O4/c1-30-27(34)24-4-2-3-19-15-21(9-10-23(19)24)36-22-11-14-31-25(16-22)32-26(33)18-5-7-20(8-6-18)35-17-28(29)12-13-28/h2-11,14-16H,12-13,17,29H2,1H3,(H,30,34)(H,31,32,33).
What are the key properties of 6-[[2-[[4-[(1-aminocyclopropyl)methoxy]benzoyl]amino]-4-pyridinyl]oxy]-N-methylnaphthalene-1-carboxamide?
6-[[2-[[4-[(1-aminocyclopropyl)methoxy]benzoyl]amino]-4-pyridinyl]oxy]-N-methylnaphthalene-1-carboxamide has a molecular weight of 482.54 g/mol, XLogP of 4.51, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[2-[[4-[(1-aminocyclopropyl)methoxy]benzoyl]amino]-4-pyridinyl]oxy]-N-methylnaphthalene-1-carboxamide is sourced from PubChem (CID 145351798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).