6-[[2-[[4-[(3S,5R)-3,5-dimethylpiperazin-1-yl]-2-fluorobenzoyl]amino]-4-pyridinyl]oxy]-N-methylnaphthalene-1-carboxamide

C30H30FN5O3 — CID 145351778

IUPAC6-[[2-[[4-[(3S,5R)-3,5-dimethylpiperazin-1-yl]-2-fluorobenzoyl]amino]-4-pyridinyl]oxy]-N-methylnaphthalene-1-carboxamide
SMILESCNC(=O)c1cccc2cc(Oc3ccnc(NC(=O)c4ccc(N5C[C@@H](C)N[C@@H](C)C5)cc4F)c3)ccc12
InChIInChI=1S/C30H30FN5O3/c1-18-16-36(17-19(2)34-18)21-7-9-26(27(31)14-21)30(38)35-28-15-23(11-12-33-28)39-22-8-10-24-20(13-22)5-4-6-25(24)29(37)32-3/h4-15,18-19,34H,16-17H2,1-3H3,(H,32,37)(H,33,35,38)/t18-,19+
InChIKeyMJXHDHQEWUJIBO-KDURUIRLSA-N
MW527.60 g/mol
LogP4.96
Rot. Bonds6

About 6-[[2-[[4-[(3S,5R)-3,5-dimethylpiperazin-1-yl]-2-fluorobenzoyl]amino]-4-pyridinyl]oxy]-N-methylnaphthalene-1-carboxamide

6-[[2-[[4-[(3S,5R)-3,5-dimethylpiperazin-1-yl]-2-fluorobenzoyl]amino]-4-pyridinyl]oxy]-N-methylnaphthalene-1-carboxamide (PubChem CID 145351778) has the molecular formula C30H30FN5O3 and a molecular weight of 527.60 g/mol. Its IUPAC name is 6-[[2-[[4-[(3S,5R)-3,5-dimethylpiperazin-1-yl]-2-fluorobenzoyl]amino]-4-pyridinyl]oxy]-N-methylnaphthalene-1-carboxamide.

Molecular Properties

Compound Name6-[[2-[[4-[(3S,5R)-3,5-dimethylpiperazin-1-yl]-2-fluorobenzoyl]amino]-4-pyridinyl]oxy]-N-methylnaphthalene-1-carboxamide
PubChem CID145351778
Molecular FormulaC30H30FN5O3
Molecular Weight527.60 g/mol
Exact Mass527.23
IUPAC Name6-[[2-[[4-[(3S,5R)-3,5-dimethylpiperazin-1-yl]-2-fluorobenzoyl]amino]-4-pyridinyl]oxy]-N-methylnaphthalene-1-carboxamide
SMILESCNC(=O)c1cccc2cc(Oc3ccnc(NC(=O)c4ccc(N5C[C@@H](C)N[C@@H](C)C5)cc4F)c3)ccc12
InChIInChI=1S/C30H30FN5O3/c1-18-16-36(17-19(2)34-18)21-7-9-26(27(31)14-21)30(38)35-28-15-23(11-12-33-28)39-22-8-10-24-20(13-22)5-4-6-25(24)29(37)32-3/h4-15,18-19,34H,16-17H2,1-3H3,(H,32,37)(H,33,35,38)/t18-,19+
InChIKeyMJXHDHQEWUJIBO-KDURUIRLSA-N
XLogP4.96
TPSA95.59 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500527.60
LogP ≤ 54.96
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 6-[[2-[[4-[(3S,5R)-3,5-dimethylpiperazin-1-yl]-2-fluorobenzoyl]amino]-4-pyridinyl]oxy]-N-methylnaphthalene-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Sonidegib
CID 24775005
PF-02575799
CID 24999167
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
2-fluoro-6-methoxy-N-[4-[(6-oxo-5H-benzo[c][1,8]naphthyridin-1-yl)amino]phenyl]benzamide
CID 68649048
N-methyl-6-[[2-[[4-(4-methylpiperazin-1-yl)benzoyl]amino]-4-pyridinyl]oxy]naphthalene-1-carboxamide
CID 145351804
(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
6-((6-acetamidopyrimidin-4-yl)oxy)-N-(4-((4-methylpiperazin-1-yl)methyl)-3-(trifluoromethyl)phenyl)-1-naphthamide
CID 67406169
N-[(1S)-2-[(4-fluorophenyl)methyl-methylamino]-2-oxo-1-phenylethyl]-2-[[2-[4-[(2-methylpropan-2-yl)oxy]phenyl]benzoyl]amino]quinoline-6-carboxamide
CID 71456409
N-[(1S)-2-[[(4-Fluorophenyl)methyl]amino]-2-oxo-1-phenylethyl]-2-[[[4a(2)-(1-methylethoxy)[1,1a(2)-biphenyl]-2-yl]carbonyl]amino]-6-quinolinecarboxamide
CID 71460105
(3-Methoxynaphthalen-2-yl)-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 9325257
3-methoxy-N-(4-methyl-2-pyridyl)-2-naphthamide
CID 16391032

Frequently Asked Questions

What is the IUPAC name of 6-[[2-[[4-[(3S,5R)-3,5-dimethylpiperazin-1-yl]-2-fluorobenzoyl]amino]-4-pyridinyl]oxy]-N-methylnaphthalene-1-carboxamide?
The IUPAC name of 6-[[2-[[4-[(3S,5R)-3,5-dimethylpiperazin-1-yl]-2-fluorobenzoyl]amino]-4-pyridinyl]oxy]-N-methylnaphthalene-1-carboxamide (CID 145351778) is 6-[[2-[[4-[(3S,5R)-3,5-dimethylpiperazin-1-yl]-2-fluorobenzoyl]amino]-4-pyridinyl]oxy]-N-methylnaphthalene-1-carboxamide.
What is the SMILES notation for 6-[[2-[[4-[(3S,5R)-3,5-dimethylpiperazin-1-yl]-2-fluorobenzoyl]amino]-4-pyridinyl]oxy]-N-methylnaphthalene-1-carboxamide?
The canonical SMILES for 6-[[2-[[4-[(3S,5R)-3,5-dimethylpiperazin-1-yl]-2-fluorobenzoyl]amino]-4-pyridinyl]oxy]-N-methylnaphthalene-1-carboxamide is CNC(=O)c1cccc2cc(Oc3ccnc(NC(=O)c4ccc(N5C[C@@H](C)N[C@@H](C)C5)cc4F)c3)ccc12.
What is the InChIKey of 6-[[2-[[4-[(3S,5R)-3,5-dimethylpiperazin-1-yl]-2-fluorobenzoyl]amino]-4-pyridinyl]oxy]-N-methylnaphthalene-1-carboxamide?
The InChIKey is MJXHDHQEWUJIBO-KDURUIRLSA-N. The full InChI is InChI=1S/C30H30FN5O3/c1-18-16-36(17-19(2)34-18)21-7-9-26(27(31)14-21)30(38)35-28-15-23(11-12-33-28)39-22-8-10-24-20(13-22)5-4-6-25(24)29(37)32-3/h4-15,18-19,34H,16-17H2,1-3H3,(H,32,37)(H,33,35,38)/t18-,19+.
What are the key properties of 6-[[2-[[4-[(3S,5R)-3,5-dimethylpiperazin-1-yl]-2-fluorobenzoyl]amino]-4-pyridinyl]oxy]-N-methylnaphthalene-1-carboxamide?
6-[[2-[[4-[(3S,5R)-3,5-dimethylpiperazin-1-yl]-2-fluorobenzoyl]amino]-4-pyridinyl]oxy]-N-methylnaphthalene-1-carboxamide has a molecular weight of 527.60 g/mol, XLogP of 4.96, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[2-[[4-[(3S,5R)-3,5-dimethylpiperazin-1-yl]-2-fluorobenzoyl]amino]-4-pyridinyl]oxy]-N-methylnaphthalene-1-carboxamide is sourced from PubChem (CID 145351778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).